Starting date and time: Mon Oct 21 15:03:40 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Sep 16 2019 at 14:24:46) run on 20191021 at 150340.377 *** * Using the new style input format... * OpenMP enabled ... * MPI disabled ... * NAG calls disabled ... * FFTW library will be used for FFTs ... * Estimate FFTW plans will be used for FFTs ... * Generic code will be used for diagonalizations ... * Extra check calls enabled ... * The internal timers of module Timers are not used ... * The FFT over R is performed using a single call ... * Full potential energy operation optimization has been enabled... * Potential energy multiplication optimization has been disabled... * Kinetic energy multiplication optimization has been disabled ... * Optimization of the kinetic energy operator routine in Z on the scattering grid has been disabled ... * Setting up global data... * Calculated machines precision: 0.55511151E-16 * Using a maximum number of 32 threads in this run. * Setting up global data... * Preparing module inputfields for reading the input file ... * Trying to read input file "DVR.inp" ... * Input file read OK ... *** THE INPUT PARAMETERS SETUP INTERNALLY BY THE PROGRAM *** * The surface lattice constant in X (bohr): 0.48638932E+01 * The surface lattice constant in Y (bohr): 0.48638932E+01 * The asymptotic value in Z (bohr): 0.15117808E+02 * The cutoff value in r (bohr): 0.10000000E+04 * The unit cell skewing angle (degrees): 0.60000000E+02 * The unit cell point group: C3v NOTE: If the potential switching option is used to switch the potential faster to the gas phase, the Z-value at which the potential first reaches the gas phase, is the new asymptotic Z-value. *** THE INPUT READ *** * Title: v1j1mj0-0.15eV-0.55eV * SystemID: CRPlibrary * NewCalc: T * Z degree of freedom: T * R degree of freedom: T * X degree of freedom: T * Y degree of freedom: T * Theta degree of freedom: T * Phi degree of freedom: T * Mass of atom 1 (amu): 0.10078000E+01 * Mass of atom 2 (amu): 0.10078000E+01 * Homo-nuclear molecule: T * Number of points on the scattering grid in Z: 198 * Step size of the scattering Z (bohr): 0.10000000E+00 * Starting point of the scattering in Z (bohr): -0.10000000E+01 * Number of points on the specular grid in Z: 252 * Number of points on the scattering grid in r: 56 * Step size of the scattering r (bohr): 0.15000000E+00 * Starting point of the scattering in r (bohr): 0.80000000E+00 * Specular grid in r is identical to the scattering grid in r. * Number of points on the scattering grid in X: 20 * Number of points on the scattering grid in Y: 20 * Maximum J value in grid representation.: 35 * Maximum Mj value in grid representation.: 27 * The projection operator scheme used: using two grids all the way * Propagation method used: Split operator * Calculation starts at (aut): 0.00000000E+00 * Calculation ends at (aut): 0.24000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 12000 * Only performing a fine analysis: F * Also performing a fine analysis: T * Wave function analysed every (aut): 0.50000000E+02 * Averages printed every (aut): 0.50000000E+02 * Initially using a dynamical specular analysis surface: T * Wave function analysed at (bohr): 0.15200000E+02 * Maximum J analysed: determined by the program (see info Analysis) * Maximum V analysed: determined by the program (see info Analysis) * Maximum diffraction order analysed: determined by the program (see info Analysis) * Number of energies that are on-the-fly analysed: 8 * Lowest energy of the initial wave packet: 0.15000000E+00 * Highest energy of the initial wave packet: 0.55000000E+00 * Average position of the initial wave packet: 0.17400000E+02 * Initial rotational quantum number J: 1 * Initial rotational quantum number Mj: 0 * Initial rotational quantum number V: 1 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: F * Potential mixing alfa value: 0.00000000E+00 * Using a quadratic optical potential on the scattering grid in Z: * Optical potential in Z start at (bohr): 0.15200000E+02 * Optical potential in Z ends at (bohr): 0.18700000E+02 * Optical potential in Z absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the scattering grid in r: * Optical potential in r start at (bohr): 0.45500000E+01 * Optical potential in r ends at (bohr): 0.90500000E+01 * Optical potential in r absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.19800000E+02 * Optical potential in Z ends at (bohr): 0.24100000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.80000000E-01 * Initial energy parallel to the surface (eV): 0.00000000E+00 * Azimuthal angle of the incident molecule (degrees): 0.00000000E+00 * Using a switching function for the potential in Z: F * Switching function starts at (bohr): 0.65000000E+01 * Switching function ends at (bohr): 0.70000000E+01 * S-matrix elements written to file 3: T * Rot-vib-diff resolved probs written to file 25: T * Rot-diff resolved probs written to file 10: T * Dumping debug information to file: F * Dumping full S-matrix to file fil10: F * Tolerance for transferring the wavefunction (nproj = 2): 0.10000000E-08 * Validating the input... * Processing the input... *** THE INPUT FOR ROTATIONAL DEGREES OF FREEDOM *** * J in: 1 * Mj in: 0 * Maximum J value in grid rep.: 35 * HomeNuclear: T * A general MjIn independant grid will be used ... *** CONTINUING SETUP I *** * Setting up the FFT module ... * Setting up legendre module with JMax + 1 = 36 ... * Setting up the angular grid module with JMax = 35 ... * The nearest size allowed by FFT routines ( 56 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 56 * Delta value in phi coordinate : 0.112199737628207 * Number of theta's : 18 * JMax in basis set : 35 * JMin in basis set : 1 * Delta J in basis set : 2 * Grid has been set up for JIn = 1 , MjIn = 0 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.17881393E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 18 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 71 iz = 70 iz = 72 iz = 73 iz = 75 iz = 74 iz = 76 iz = 77 iz = 79 iz = 78 iz = 80 iz = 81 iz = 83 iz = 82 iz = 84 iz = 87 iz = 86 iz = 85 iz = 88 iz = 91 iz = 90 iz = 89 iz = 92 iz = 95 iz = 94 iz = 93 iz = 96 iz = 99 iz = 98 iz = 97 iz = 100 iz = 103 iz = 102 iz = 101 iz = 104 iz = 107 iz = 106 iz = 105 iz = 108 iz = 111 iz = 110 iz = 109 iz = 112 iz = 115 iz = 114 iz = 113 iz = 116 iz = 119 iz = 118 iz = 117 iz = 120 iz = 122 iz = 123 iz = 121 iz = 124 iz = 126 iz = 127 iz = 125 iz = 128 iz = 130 iz = 131 iz = 129 iz = 132 iz = 134 iz = 135 iz = 133 iz = 136 iz = 138 iz = 139 iz = 137 iz = 140 iz = 142 iz = 143 iz = 147 iz = 151 iz = 155 iz = 141 iz = 159 iz = 146 iz = 150 iz = 154 iz = 158 iz = 162 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 145 iz = 149 iz = 153 iz = 157 iz = 161 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_35_27. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.24693743E+04 secs ******************************************************************************** INFO FROM SETTING UP THE ROVIBARIONAL ASYMPTOTIC POTENTIAL ******************************************************************************** The gas phase vibrational potential for Z = 15.1178079086314 r(Bohr) V(eV) --------------------------------------------- 0.800000000000000 -0.614313158203822 0.950000000000000 -3.19102266083849 1.10000000000000 -4.45136825777271 1.25000000000000 -4.99984753548742 1.40000000000000 -5.15222895836725 1.55000000000000 -5.07205461356338 1.70000000000000 -4.85412985260776 1.85000000000000 -4.55365640658986 2.00000000000000 -4.20965954065202 2.15000000000000 -3.84476515750003 2.30000000000000 -3.47295832873381 2.45000000000000 -3.10772368458484 2.60000000000000 -2.75591917705669 2.75000000000000 -2.41910500293411 2.90000000000000 -2.09869395800417 3.05000000000000 -1.79612193194245 3.20000000000000 -1.51285210467923 3.35000000000000 -1.25033926714185 3.50000000000000 -1.00917613430596 3.65000000000000 -0.788439939242043 3.80000000000000 -0.587054085255137 3.95000000000000 -0.403941975650272 4.10000000000000 -0.238027013732485 4.25000000000000 -8.823260280680591E-002 4.40000000000000 -8.846257060213248E-013 4.55000000000000 -8.846257060213248E-013 4.70000000000000 -8.846257060213248E-013 4.85000000000000 -8.846257060213248E-013 5.00000000000000 -8.846257060213248E-013 5.15000000000000 -8.846257060213248E-013 5.30000000000000 -8.846257060213248E-013 5.45000000000000 -8.846257060213248E-013 5.60000000000000 -8.846257060213248E-013 5.75000000000000 -8.846257060213248E-013 5.90000000000000 -8.846257060213248E-013 6.05000000000000 -8.846257060213248E-013 6.20000000000000 -8.846257060213248E-013 6.35000000000000 -8.846257060213248E-013 6.50000000000000 -8.846257060213248E-013 6.65000000000000 -8.846257060213248E-013 6.80000000000000 -8.846257060213248E-013 6.95000000000000 -8.846257060213248E-013 7.10000000000000 -8.846257060213248E-013 7.25000000000000 -8.846257060213248E-013 7.40000000000000 -8.846257060213248E-013 7.55000000000000 -8.846257060213248E-013 7.70000000000000 -8.846257060213248E-013 7.85000000000000 -8.846257060213248E-013 8.00000000000000 -8.846257060213248E-013 8.15000000000000 -8.846257060213248E-013 8.30000000000000 -8.846257060213248E-013 8.45000000000000 -8.846257060213248E-013 8.60000000000000 -8.846257060213248E-013 8.75000000000000 -8.846257060213248E-013 8.90000000000000 -8.846257060213248E-013 9.05000000000000 -8.846257060213248E-013 * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 ******************************************************************************** INFO FROM SETTING UP THE ASYMPTOTIC ROVIBRATIONAL STATES ******************************************************************************** asymptotic molecular vibrational wave functions v j e(ev) erel(ev) psi(1) psi(nr) norm 0 0 -4.886560 -0.523167 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.508695 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.479883 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.436991 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.380399 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.310597 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 -0.228167 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 -0.133774 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 -0.028144 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.087947 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.213695 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.348278 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.490873 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.640663 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 0.796848 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 0.958654 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.125337 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.296186 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.470528 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.647725 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 1.827182 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.008338 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.190673 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.373701 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.556972 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.740063 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 0 26 -1.440808 2.922586 0.9869287D-07 0.1043847D-06 1.0000000 2.1075305 0 27 -1.259222 3.104172 0.4237105D-07 0.1735779D-07 1.0000000 2.1531306 0 28 -1.078916 3.284478 -0.2502810D-07 0.6205393D-07 1.0000000 2.2003723 0 29 -0.900213 3.463181 -0.2121238D-07 0.1249720D-06 1.0000000 2.2493422 0 30 -0.723415 3.639979 -0.2031340D-07 0.1657846D-06 1.0000000 2.3001271 0 31 -0.548804 3.814590 -0.1871562D-07 0.1833134D-06 1.0000000 2.3528071 0 32 -0.376639 3.986755 -0.1582985D-07 0.1800695D-06 1.0000000 2.4074525 0 33 -0.207155 4.156238 -0.1214360D-07 0.1607287D-06 1.0000000 2.4641264 0 34 -0.040566 4.322828 -0.8337099D-08 0.1307806D-06 1.0000000 2.5228961 0 35 0.122942 4.486335 -0.4940501D-08 0.9584392D-07 1.0000000 2.5838538 1 0 -4.377131 -0.013737 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.000000 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.027350 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.068067 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.121795 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.188071 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.266343 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.355984 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.456303 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.566564 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.685999 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 0.813824 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 0.949248 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.091487 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.239775 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.393368 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.551554 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.713652 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 1.879021 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.047053 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.217174 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.388841 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.561541 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.734790 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 2.908131 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.081141 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 1 26 -1.109959 3.253434 0.2853172D-06 0.7800547D-06 1.0000000 2.2331972 1 27 -0.938728 3.424666 0.7152578D-07 0.6172292D-06 1.0000000 2.2818597 1 28 -0.768863 3.594531 0.5955816D-08 0.4025537D-06 1.0000000 2.3321141 1 29 -0.600629 3.762765 -0.1855380D-08 0.1736366D-06 1.0000000 2.3839503 1 30 -0.434265 3.929129 -0.7203174D-08 0.3474696D-07 1.0000000 2.4374261 1 31 -0.269989 4.093404 -0.1667264D-07 0.2008302D-06 1.0000000 2.4926969 1 32 -0.108020 4.255373 -0.2151494D-07 0.3169960D-06 1.0000000 2.5500321 1 33 0.051415 4.414808 -0.2142833D-07 0.3870395D-06 1.0000000 2.6098152 1 34 0.208069 4.571463 -0.1732536D-07 0.4332916D-06 1.0000000 2.6725312 1 35 0.308320 4.671714 0.8223540D-02 0.2812950D+00 1.0000000 8.2643229 2 0 -3.893806 0.469587 0.5771819D-01 0.4751239D-02 1.0000000 1.6575165 2 1 -3.880782 0.482612 0.5615908D-01 0.4609568D-02 1.0000000 1.6597984 2 2 -3.854850 0.508544 0.5315887D-01 0.4338129D-02 1.0000000 1.6643531 2 3 -3.816243 0.547151 0.4894017D-01 0.3959188D-02 1.0000000 1.6711626 2 4 -3.765299 0.598095 0.4380517D-01 0.3502542D-02 1.0000000 1.6802002 2 5 -3.702455 0.660939 0.3810226D-01 0.3001846D-02 1.0000000 1.6914311 2 6 -3.628235 0.735159 0.3218887D-01 0.2490697D-02 1.0000000 1.7048133 2 7 -3.543232 0.820162 0.2639577D-01 0.1999073D-02 1.0000000 1.7202983 2 8 -3.448099 0.915294 0.2099758D-01 0.1550658D-02 1.0000000 1.7378329 2 9 -3.343534 1.019860 0.1619351D-01 0.1161345D-02 1.0000000 1.7573614 2 10 -3.230260 1.133134 0.1209991D-01 0.8389907D-03 1.0000000 1.7788292 2 11 -3.109020 1.254374 0.8754491D-02 0.5842474D-03 1.0000000 1.8021864 2 12 -2.980561 1.382833 0.6129547D-02 0.3921294D-03 1.0000000 1.8273924 2 13 -2.845627 1.517766 0.4150647D-02 0.2539269D-03 1.0000000 1.8544197 2 14 -2.704953 1.658441 0.2716632D-02 0.1591155D-03 1.0000000 1.8832547 2 15 -2.559257 1.804137 0.1717553D-02 0.9700017D-04 1.0000000 1.9138957 2 16 -2.409239 1.954155 0.1048338D-02 0.5794320D-04 1.0000000 1.9463452 2 17 -2.255573 2.107821 0.6174369D-03 0.3411118D-04 1.0000000 1.9806003 2 18 -2.098905 2.264489 0.3507947D-03 0.1975138D-04 1.0000000 2.0166416 2 19 -1.939841 2.423553 0.1922546D-03 0.1106586D-04 1.0000000 2.0544251 2 20 -1.778945 2.584448 0.1016680D-03 0.5806463D-05 1.0000000 2.0938824 2 21 -1.616734 2.746660 0.5189138D-04 0.2750023D-05 1.0000000 2.1349296 2 22 -1.453671 2.909723 0.2554657D-04 0.1212388D-05 1.0000000 2.1774871 2 23 -1.290177 3.073217 0.1208783D-04 0.7130541D-06 1.0000000 2.2215056 2 24 -1.126630 3.236764 0.5441000D-05 0.8240646D-06 1.0000000 2.2669927 2 25 -0.963384 3.400009 0.2274031D-05 0.1161683D-05 1.0000000 2.3140301 2 26 -0.800777 3.562616 0.8340432D-06 0.1439803D-05 1.0000000 2.3627752 2 27 -0.639142 3.724252 0.2271824D-06 0.1510905D-05 1.0000000 2.4134430 2 28 -0.478807 3.884586 0.6553576D-08 0.1358787D-05 1.0000000 2.4662759 2 29 -0.320101 4.043293 -0.4767921D-07 0.1049775D-05 1.0000000 2.5215137 2 30 -0.163340 4.200053 -0.4035016D-07 0.6729239D-06 1.0000000 2.5793812 2 31 -0.008828 4.354566 -0.1809269D-07 0.2977293D-06 1.0000000 2.6401056 2 32 0.143150 4.506544 -0.8700250D-09 0.4330716D-07 1.0000000 2.7039613 2 33 0.278015 4.641409 0.8755666D-02 0.2685474D+00 1.0000000 8.2332278 2 34 0.292979 4.656373 0.8481541D-02 0.2749197D+00 1.0000000 8.2491067 2 35 0.361675 4.725069 -0.1372185D-07 0.3697150D-06 1.0000000 2.7387486 energy initial v,j state = -4.363394 potential energy = -4.750152 rotational energy = 0.013716 vibrational energy = 0.373042 rovibrational energy = 0.386758 expectation value r = 1.558987 ******************************************************************************** INFO FROM SETTING UP THE DIFFRACTION BASIS ******************************************************************************** WARNING: Diffractional basis too small to describe all open channels! 400 diffraction channels in basis (ndftow) * Number of diffraction states analysed, ndifa = 271 * Highest diffraction order, maxord = 19 * Largest number of diffraction states that belong to the same diffraction order, maxnum = 54 ******************************************************************************** INFO FROM SETTING UP THE ROTATION BASIS ******************************************************************************** 626 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 78 * initial rotational state in basis, ichn = 305 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 21138 * Index of initial rot-dif channel in basis, inchna = 9757 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20018138E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 12 * Maximum v in analysis: nviba = 3 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.55898734 0.10000000E+01 0.50000000E+02 0.99999915 17.27377086 1.55900730 0.99999915E+00 0.10000000E+03 0.99999829 17.14754172 1.55902598 0.99999827E+00 0.15000000E+03 0.99999743 17.02131258 1.55902997 0.99999726E+00 0.20000000E+03 0.99999657 16.89508344 1.55902987 0.99999515E+00 0.25000000E+03 0.99999571 16.76885430 1.55902648 0.99998561E+00 0.30000000E+03 0.99999485 16.64262516 1.55901154 0.99993422E+00 0.35000000E+03 0.99999399 16.51639602 1.55899008 0.99969130E+00 0.40000000E+03 0.99999313 16.39016687 1.55899812 0.99874111E+00 0.45000000E+03 0.99999228 16.26393773 1.55902512 0.99568913E+00 0.50000000E+03 0.99999141 16.13770858 1.55903039 0.98759884E+00 0.55000000E+03 0.99999056 16.01147941 1.55903085 0.96971354E+00 0.60000000E+03 0.99998970 15.88525016 1.55902807 0.93628665E+00 0.65000000E+03 0.99998884 15.75902072 1.55901490 0.88265021E+00 0.70000000E+03 0.99998798 15.63279086 1.55899332 0.80755312E+00 0.75000000E+03 0.99998712 15.50656013 1.55899105 0.71430952E+00 0.80000000E+03 0.99998626 15.38032789 1.55902048 0.61002178E+00 0.85000000E+03 0.99998540 15.25409318 1.55903342 0.50340262E+00 0.90000000E+03 0.99998454 15.12785481 1.55903206 0.40241322E+00 0.95000000E+03 0.99998368 15.00161134 1.55902947 0.31270426E+00 0.10000000E+04 0.99998282 14.87536121 1.55901705 0.23715775E+00 0.10500000E+04 0.99998196 14.74910281 1.55899571 0.17626819E+00 0.11000000E+04 0.99998110 14.62283452 1.55898747 0.12890763E+00 0.11500000E+04 0.99998024 14.49655480 1.55901263 0.93102953E-01 0.12000000E+04 0.99997938 14.37026218 1.55903792 0.66632023E-01 0.12500000E+04 0.99997853 14.24395523 1.55903400 0.47393711E-01 0.13000000E+04 0.99997767 14.11763257 1.55903165 0.33588408E-01 0.13500000E+04 0.99997681 13.99129279 1.55901892 0.23770586E-01 0.14000000E+04 0.99997595 13.86493436 1.55899947 0.16829608E-01 0.14500000E+04 0.99997509 13.73855564 1.55898975 0.11938779E-01 0.15000000E+04 0.99997423 13.61215474 1.55901267 0.84966472E-02 0.15500000E+04 0.99997337 13.48572950 1.55904974 0.60727310E-02 0.16000000E+04 0.99997251 13.35927740 1.55905774 0.43624184E-02 0.16500000E+04 0.99997165 13.23279555 1.55905523 0.31518047E-02 0.17000000E+04 0.99997079 13.10628064 1.55905650 0.22913793E-02 0.17500000E+04 0.99996993 12.97972891 1.55904770 0.16768832E-02 0.18000000E+04 0.99996907 12.85313615 1.55905332 0.12356435E-02 0.18500000E+04 0.99996821 12.72649774 1.55908994 0.91695160E-03 0.19000000E+04 0.99996735 12.59980869 1.55915019 0.68534486E-03 0.19500000E+04 0.99996650 12.47306364 1.55919000 0.51594320E-03 0.20000000E+04 0.99996564 12.34625696 1.55920483 0.39122178E-03 0.20500000E+04 0.99996477 12.21938281 1.55922939 0.29878146E-03 0.21000000E+04 0.99996392 12.09243515 1.55924954 0.22980503E-03 0.21500000E+04 0.99996306 11.96540781 1.55927940 0.17798983E-03 0.22000000E+04 0.99996220 11.83829453 1.55933988 0.13880546E-03 0.22500000E+04 0.99996134 11.71108896 1.55942561 0.10897646E-03 0.23000000E+04 0.99996048 11.58378471 1.55949707 0.86121358E-04 0.23500000E+04 0.99995962 11.45637534 1.55953427 0.68497219E-04 0.24000000E+04 0.99995876 11.32885435 1.55957178 0.54821255E-04 0.24500000E+04 0.99995790 11.20121524 1.55961845 0.44143497E-04 0.25000000E+04 0.99995704 11.07345144 1.55966497 0.35756241E-04 0.25500000E+04 0.99995618 10.94555640 1.55974312 0.29129180E-04 0.26000000E+04 0.99995531 10.81752355 1.55984302 0.23862658E-04 0.26500000E+04 0.99995445 10.68934638 1.55993751 0.19653534E-04 0.27000000E+04 0.99995359 10.56101847 1.55999313 0.16271496E-04 0.27500000E+04 0.99995273 10.43253356 1.56003899 0.13539400E-04 0.28000000E+04 0.99995186 10.30388566 1.56010425 0.11320984E-04 0.28500000E+04 0.99995100 10.17506915 1.56017401 0.95107041E-05 0.29000000E+04 0.99995013 10.04607889 1.56026658 0.80263702E-05 0.29500000E+04 0.99994927 9.91691042 1.56039045 0.68034281E-05 0.30000000E+04 0.99994840 9.78756011 1.56051038 0.57917105E-05 0.30500000E+04 0.99994753 9.65802541 1.56060284 0.49509381E-05 0.31000000E+04 0.99994665 9.52830510 1.56067691 0.42492608E-05 0.31500000E+04 0.99994578 9.39839952 1.56077962 0.36612350E-05 0.32000000E+04 0.99994490 9.26831097 1.56090691 0.31664670E-05 0.32500000E+04 0.99994402 9.13804397 1.56105384 0.27485514E-05 0.33000000E+04 0.99994313 9.00760570 1.56124576 0.23942222E-05 0.33500000E+04 0.99994224 8.87700640 1.56145298 0.20926862E-05 0.34000000E+04 0.99994135 8.74625988 1.56165157 0.18351239E-05 0.34500000E+04 0.99994045 8.61538397 1.56184900 0.16143254E-05 0.35000000E+04 0.99993954 8.48440108 1.56209160 0.14244047E-05 0.35500000E+04 0.99993862 8.35333882 1.56239997 0.12603095E-05 0.36000000E+04 0.99993770 8.22223053 1.56275939 0.11185364E-05 0.36500000E+04 0.99993677 8.09111597 1.56318928 0.99549044E-06 0.37000000E+04 0.99993583 7.96004191 1.56369222 0.88834629E-06 0.37500000E+04 0.99993487 7.82906279 1.56423523 0.79473507E-06 0.38000000E+04 0.99993391 7.69824137 1.56483558 0.71269768E-06 0.38500000E+04 0.99993293 7.56764927 1.56553334 0.64062380E-06 0.39000000E+04 0.99993192 7.43736749 1.56637463 0.57717642E-06 0.39500000E+04 0.99993089 7.30748679 1.56735170 0.52101734E-06 0.40000000E+04 0.99992981 7.17810804 1.56847420 0.47158549E-06 0.40500000E+04 0.99992866 7.04934230 1.56976698 0.42781125E-06 0.41000000E+04 0.99992739 6.92131089 1.57121678 0.38893401E-06 0.41500000E+04 0.99992594 6.79414523 1.57282932 0.35428058E-06 0.42000000E+04 0.99992421 6.66798650 1.57465424 0.32327737E-06 0.42500000E+04 0.99992205 6.54298509 1.57673684 0.29547036E-06 0.43000000E+04 0.99991923 6.41929991 1.57909516 0.27052234E-06 0.43500000E+04 0.99991544 6.29709745 1.58171945 0.24797698E-06 0.44000000E+04 0.99991026 6.17655077 1.58463343 0.22798222E-06 0.44500000E+04 0.99990310 6.05783837 1.58783704 0.21005864E-06 0.45000000E+04 0.99989322 5.94114300 1.59131529 0.19391281E-06 0.45500000E+04 0.99987961 5.82665031 1.59508972 0.17927582E-06 0.46000000E+04 0.99986107 5.71454754 1.59918345 0.16593868E-06 0.46500000E+04 0.99983606 5.60502208 1.60359393 0.15375617E-06 0.47000000E+04 0.99980276 5.49826014 1.60828657 0.14262619E-06 0.47500000E+04 0.99975904 5.39444535 1.61322889 0.13246655E-06 0.48000000E+04 0.99970243 5.29375759 1.61839421 0.12320403E-06 0.48500000E+04 0.99963016 5.19637181 1.62372661 0.11477288E-06 0.49000000E+04 0.99953919 5.10245701 1.62918463 0.10710992E-06 0.49500000E+04 0.99942626 5.01217516 1.63474627 0.10014484E-06 0.50000000E+04 0.99928796 4.92568020 1.64037455 0.93591655E-07 0.50500000E+04 0.99912083 4.84311699 1.64601969 0.87777082E-07 0.51000000E+04 0.99892142 4.76462037 1.65162554 0.82410907E-07 0.51500000E+04 0.99868638 4.69031442 1.65714828 0.77427806E-07 0.52000000E+04 0.99841261 4.62031203 1.66253016 0.72787319E-07 0.52500000E+04 0.99809727 4.55471480 1.66770428 0.68465838E-07 0.53000000E+04 0.99773791 4.49361339 1.67261941 0.64446592E-07 0.53500000E+04 0.99733249 4.43708790 1.67722427 0.60717329E-07 0.54000000E+04 0.99687948 4.38520860 1.68146183 0.57260220E-07 0.54500000E+04 0.99637783 4.33803635 1.68528153 0.54059347E-07 0.55000000E+04 0.99582705 4.29562315 1.68864587 0.51103871E-07 0.55500000E+04 0.99522711 4.25801243 1.69152962 0.48171634E-07 0.56000000E+04 0.99457849 4.22523933 1.69390669 0.45628316E-07 0.56500000E+04 0.99388208 4.19733078 1.69576547 0.43277301E-07 0.57000000E+04 0.99313916 4.17430545 1.69710346 0.41054441E-07 0.57500000E+04 0.99235141 4.15617365 1.69791252 0.38978325E-07 0.58000000E+04 0.99152088 4.14293726 1.69818161 0.37097495E-07 0.58500000E+04 0.99065003 4.13458976 1.69790250 0.35268204E-07 0.59000000E+04 0.98974180 4.13111636 1.69707214 0.33556098E-07 0.59500000E+04 0.98879964 4.13249428 1.69568941 0.32146017E-07 0.60000000E+04 0.98782752 4.13869290 1.69376034 0.30718305E-07 0.60500000E+04 0.98682995 4.14967357 1.69131020 0.29203522E-07 0.61000000E+04 0.98581191 4.16538920 1.68838215 0.28118700E-07 0.61500000E+04 0.98477884 4.18578333 1.68504136 0.27232669E-07 0.62000000E+04 0.98373651 4.21078907 1.68137507 0.26136639E-07 0.62500000E+04 0.98269097 4.24032812 1.67747751 0.25650675E-07 0.63000000E+04 0.98164844 4.27431042 1.67342507 0.26127466E-07 0.63500000E+04 0.98061522 4.31263466 1.66925438 0.26921680E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16900000E+02 0.64000000E+04 0.97959760 4.35518987 1.66496043 0.29035518E-07 0.64500000E+04 0.97860177 4.40185799 1.66050708 0.33562192E-07 0.65000000E+04 0.97763369 4.45251679 1.65585377 0.40897951E-07 0.65500000E+04 0.97669904 4.50704247 1.65099601 0.51938092E-07 0.66000000E+04 0.97580299 4.56531143 1.64599274 0.68780874E-07 0.66500000E+04 0.97495006 4.62720068 1.64096332 0.92511998E-07 0.67000000E+04 0.97414395 4.69258721 1.63605309 0.12455698E-06 0.67500000E+04 0.97338731 4.76134674 1.63138551 0.16836174E-06 0.68000000E+04 0.97268168 4.83335276 1.62702059 0.22561841E-06 0.68500000E+04 0.97202735 4.90847632 1.62293707 0.29434991E-06 0.69000000E+04 0.97142347 4.98658677 1.61905569 0.37532468E-06 0.69500000E+04 0.97086815 5.06755331 1.61528885 0.47472314E-06 0.70000000E+04 0.97035871 5.15124650 1.61158845 0.59511653E-06 0.70500000E+04 0.96989196 5.23753934 1.60796780 0.72867237E-06 0.71000000E+04 0.96946453 5.32630740 1.60448967 0.86803793E-06 0.71500000E+04 0.96907313 5.41742808 1.60122926 0.10202263E-05 0.72000000E+04 0.96871475 5.51077954 1.59823065 0.11967400E-05 0.72500000E+04 0.96838674 5.60623977 1.59548468 0.13892224E-05 0.73000000E+04 0.96808679 5.70368630 1.59294137 0.15712224E-05 0.73500000E+04 0.96781283 5.80299671 1.59054242 0.17328101E-05 0.74000000E+04 0.96756283 5.90404972 1.58825225 0.18956826E-05 0.74500000E+04 0.96733462 6.00672653 1.58607077 0.20798738E-05 0.75000000E+04 0.96712576 6.11091175 1.58402499 0.22712489E-05 0.75500000E+04 0.96693345 6.21649398 1.58214367 0.24492788E-05 0.76000000E+04 0.96675449 6.32336556 1.58043241 0.26473840E-05 0.76500000E+04 0.96658530 6.43142200 1.57886888 0.29646410E-05 0.77000000E+04 0.96642201 6.54056101 1.57741829 0.35164752E-05 0.77500000E+04 0.96626052 6.65068166 1.57605422 0.43921791E-05 0.78000000E+04 0.96609654 6.76168362 1.57477086 0.56817636E-05 0.78500000E+04 0.96592566 6.87346673 1.57358150 0.75434266E-05 0.79000000E+04 0.96574330 6.98593093 1.57250396 0.10234376E-04 0.79500000E+04 0.96554478 7.09897642 1.57154075 0.14074465E-04 0.80000000E+04 0.96532524 7.21250429 1.57067136 0.19380867E-04 0.80500000E+04 0.96507972 7.32641723 1.56986289 0.26451813E-04 0.81000000E+04 0.96480308 7.44062053 1.56908874 0.35618103E-04 0.81500000E+04 0.96449017 7.55502299 1.56834223 0.47308458E-04 0.82000000E+04 0.96413581 7.66953779 1.56763834 0.62045879E-04 0.82500000E+04 0.96373497 7.78408319 1.56700329 0.80360659E-04 0.83000000E+04 0.96328280 7.89858298 1.56645502 0.10269020E-03 0.83500000E+04 0.96277478 8.01296688 1.56598823 0.12933587E-03 0.84000000E+04 0.96220676 8.12717072 1.56557709 0.16046313E-03 0.84500000E+04 0.96157503 8.24113654 1.56519066 0.19608194E-03 0.85000000E+04 0.96087630 8.35481249 1.56480939 0.23597437E-03 0.85500000E+04 0.96010764 8.46815242 1.56443368 0.27961845E-03 0.86000000E+04 0.95926647 8.58111525 1.56408191 0.32615776E-03 0.86500000E+04 0.95835042 8.69366407 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19.23367920 1.55946244 0.15070646E-03 0.21200000E+05 0.00206738 19.23431651 1.55887104 0.14580101E-03 0.21250000E+05 0.00200272 19.23488875 1.55851104 0.14106865E-03 0.21300000E+05 0.00194019 19.23539569 1.55861842 0.13650805E-03 0.21350000E+05 0.00187970 19.23583739 1.55908753 0.13211626E-03 0.21400000E+05 0.00182120 19.23621412 1.55955223 0.12788834E-03 0.21450000E+05 0.00176461 19.23652638 1.55967923 0.12381757E-03 0.21500000E+05 0.00170987 19.23677483 1.55942029 0.11989574E-03 0.21550000E+05 0.00165692 19.23696026 1.55900911 0.11611323E-03 0.21600000E+05 0.00160569 19.23708353 1.55875236 0.11245974E-03 0.21650000E+05 0.00155614 19.23714557 1.55881252 0.10892513E-03 0.21700000E+05 0.00150820 19.23714733 1.55911468 0.10550105E-03 0.21750000E+05 0.00146182 19.23708983 1.55941048 0.10218207E-03 0.21800000E+05 0.00141695 19.23697404 1.55947469 0.98966052E-04 0.21850000E+05 0.00137353 19.23680096 1.55928826 0.95853325E-04 0.21900000E+05 0.00133153 19.23657151 1.55903589 0.92845320E-04 0.21950000E+05 0.00129088 19.23628649 1.55893070 0.89943076E-04 0.22000000E+05 0.00125155 19.23594659 1.55903953 0.87146151E-04 0.22050000E+05 0.00121349 19.23555226 1.55925156 0.84452038E-04 0.22100000E+05 0.00117666 19.23510381 1.55938218 0.81856059E-04 0.22150000E+05 0.00114102 19.23460133 1.55932021 0.79351816E-04 0.22200000E+05 0.00110653 19.23404480 1.55912148 0.76931983E-04 0.22250000E+05 0.00107314 19.23343409 1.55896657 0.74589479E-04 0.22300000E+05 0.00104083 19.23276910 1.55900584 0.72318360E-04 0.22350000E+05 0.00100955 19.23204972 1.55922290 0.70114419E-04 0.22400000E+05 0.00097927 19.23127592 1.55943903 0.67975027E-04 0.22450000E+05 0.00094996 19.23044773 1.55946634 0.65898891E-04 0.22500000E+05 0.00092159 19.22956522 1.55926814 0.63885592E-04 0.22550000E+05 0.00089412 19.22862848 1.55899152 0.61935351E-04 0.22600000E+05 0.00086753 19.22763760 1.55885527 0.60048843E-04 0.22650000E+05 0.00084178 19.22659262 1.55898439 0.58226916E-04 0.22700000E+05 0.00081685 19.22549358 1.55930934 0.56470173E-04 0.22750000E+05 0.00079270 19.22434046 1.55959542 0.54778407E-04 0.22800000E+05 0.00076933 19.22313318 1.55961148 0.53150076E-04 0.22850000E+05 0.00074669 19.22187166 1.55932970 0.51581983E-04 0.22900000E+05 0.00072476 19.22055575 1.55895854 0.50069318E-04 0.22950000E+05 0.00070353 19.21918526 1.55877457 0.48606197E-04 0.23000000E+05 0.00068296 19.21775993 1.55891400 0.47186506E-04 0.23050000E+05 0.00066304 19.21627938 1.55929076 0.45805025E-04 0.23100000E+05 0.00064374 19.21474314 1.55965335 0.44458233E-04 0.23150000E+05 0.00062504 19.21315056 1.55973724 0.43144993E-04 0.23200000E+05 0.00060693 19.21150083 1.55946874 0.41866438E-04 0.23250000E+05 0.00058938 19.20979301 1.55904871 0.40625518E-04 0.23300000E+05 0.00057238 19.20802599 1.55878898 0.39425911E-04 0.23350000E+05 0.00055590 19.20619858 1.55886230 0.38270784E-04 0.23400000E+05 0.00053994 19.20430952 1.55920454 0.37161712E-04 0.23450000E+05 0.00052447 19.20235761 1.55959309 0.36098071E-04 0.23500000E+05 0.00050947 19.20034174 1.55977434 0.35077091E-04 0.23550000E+05 0.00049494 19.19826097 1.55961738 0.34094459E-04 0.23600000E+05 0.00048086 19.19611461 1.55924037 0.33145105E-04 0.23650000E+05 0.00046720 19.19390222 1.55892887 0.32224003E-04 0.23700000E+05 0.00045397 19.19162362 1.55889020 0.31326793E-04 0.23750000E+05 0.00044114 19.18927879 1.55911541 0.30450261E-04 0.23800000E+05 0.00042870 19.18686785 1.55944806 0.29592679E-04 0.23850000E+05 0.00041664 19.18439091 1.55969470 0.28753870E-04 0.23900000E+05 0.00040495 19.18184806 1.55970192 0.27935056E-04 0.23950000E+05 0.00039362 19.17923926 1.55946833 0.27138294E-04 0.24000000E+05 0.00038263 19.17656432 1.55917681 0.26365926E-04 ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 480 # data used, ndused = 480 effective prop.time, spectral resolution (mev) = 24000.0000 0.3561964E+01 meaningful results in kin energy range (ev) 0.003562 1.709743 results will be obtained for nen95 energies,nen95 = 112 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1531644 -0.004369 -0.92007 2 0.1567264 -0.001446 -1.34661 3 0.1602884 0.004174 -1.76931 4 0.1638503 0.005930 -2.18744 5 0.1674123 0.002189 -2.59503 6 0.1709743 -0.002058 -2.98894 7 0.1745362 -0.001577 2.90997 8 0.1780982 0.002526 2.52904 9 0.1816602 0.004483 2.15075 10 0.1852221 0.001699 1.78058 11 0.1887841 -0.001817 1.42206 12 0.1923461 -0.001227 1.07159 13 0.1959080 0.002243 0.72354 14 0.1994700 0.003267 0.37841 15 0.2030319 0.000436 0.04206 16 0.2065939 -0.001739 -0.28320 17 0.2101559 0.000072 -0.60176 18 0.2137178 0.002824 -0.91731 19 0.2172798 0.002085 -1.22658 20 0.2208418 -0.000789 -1.52441 21 0.2244037 -0.001002 -1.81201 22 0.2279657 0.001668 -2.09486 23 0.2315277 0.002601 -2.37411 24 0.2350896 0.000270 -2.64559 25 0.2386516 -0.001251 -2.90833 26 0.2422135 0.000522 3.11519 27 0.2457755 0.002233 2.85404 28 0.2493375 0.000832 2.59401 29 0.2528994 -0.001029 2.33835 30 0.2564614 -0.000011 2.08306 31 0.2600234 0.001840 1.82250 32 0.2635853 0.001108 1.55943 33 0.2671473 -0.000624 1.30022 34 0.2707093 0.000005 1.04320 35 0.2742712 0.001720 0.78339 36 0.2778332 0.001308 0.52517 37 0.2813952 -0.000105 0.27689 38 0.2849571 0.000512 0.03651 39 0.2885191 0.002063 -0.20226 40 0.2920810 0.001744 -0.43594 41 0.2956430 0.000744 -0.65832 42 0.2992050 0.001641 -0.87461 43 0.3027669 0.003102 -1.09315 44 0.3063289 0.002834 -1.31060 45 0.3098909 0.002366 -1.52122 46 0.3134528 0.003661 -1.73190 47 0.3170148 0.004980 -1.95036 48 0.3205768 0.004762 -2.16948 49 0.3241387 0.004941 -2.38241 50 0.3277007 0.006612 -2.59740 51 0.3312626 0.007703 -2.81803 52 0.3348246 0.007665 -3.03161 53 0.3383866 0.008638 3.04898 54 0.3419485 0.010629 2.84646 55 0.3455105 0.011589 2.64543 56 0.3490725 0.012066 2.45803 57 0.3526344 0.013873 2.27890 58 0.3561964 0.015963 2.09556 59 0.3597584 0.016902 1.91496 60 0.3633203 0.018083 1.74550 61 0.3668823 0.020391 1.57403 62 0.3704442 0.022218 1.39297 63 0.3740062 0.023278 1.21767 64 0.3775682 0.025180 1.05021 65 0.3811301 0.027658 0.87323 66 0.3846921 0.029341 0.69223 67 0.3882541 0.030963 0.52610 68 0.3918160 0.033487 0.36342 69 0.3953780 0.035888 0.19132 70 0.3989400 0.037681 0.02946 71 0.4025019 0.039934 -0.11635 72 0.4060639 0.042627 -0.26917 73 0.4096259 0.044847 -0.42493 74 0.4131878 0.047052 -0.56124 75 0.4167498 0.049958 -0.69421 76 0.4203117 0.052970 -0.84225 77 0.4238737 0.055759 -0.98075 78 0.4274357 0.059022 -1.10281 79 0.4309976 0.062852 -1.23926 80 0.4345596 0.066692 -1.38409 81 0.4381216 0.070745 -1.50853 82 0.4416835 0.075526 -1.63497 83 0.4452455 0.080760 -1.78074 84 0.4488075 0.086107 -1.90947 85 0.4523694 0.092009 -2.02075 86 0.4559314 0.098781 -2.14850 87 0.4594933 0.105989 -2.26888 88 0.4630553 0.113548 -2.35487 89 0.4666173 0.121961 -2.44003 90 0.4701792 0.130969 -2.53153 91 0.4737412 0.139901 -2.59323 92 0.4773032 0.149099 -2.63804 93 0.4808651 0.158739 -2.69804 94 0.4844271 0.167798 -2.75056 95 0.4879891 0.176083 -2.78017 96 0.4915510 0.184348 -2.82428 97 0.4951130 0.191966 -2.88735 98 0.4986750 0.198272 -2.93044 99 0.5022369 0.204432 -2.97229 100 0.5057989 0.210674 -3.04733 101 0.5093608 0.215715 -3.11556 102 0.5129228 0.220143 3.12206 103 0.5164848 0.225110 3.04932 104 0.5200467 0.229562 2.96812 105 0.5236087 0.233192 2.92680 106 0.5271707 0.237350 2.87753 107 0.5307326 0.241406 2.80135 108 0.5342946 0.244309 2.76748 109 0.5378566 0.247444 2.75559 110 0.5414185 0.251023 2.70466 111 0.5449805 0.253365 2.67346 112 0.5485424 0.255216 2.69328 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.153164 etrans(icomax)= 0.548542 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41562509D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1037345E-02 0.2686559E-01 0.2018435E+00 1 0.1000422E+01 0.9690729E-02 0.2276725E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.3059360E-04 0 37 1 0 0.2507681E-04 0 43 1 1 0.3059356E-04 0 21 3 -3 0.3140894E-05 0 26 3 -2 0.2600891E-04 0 32 3 -1 0.6837298E-04 0 38 3 0 0.4220065E-04 0 44 3 1 0.6837296E-04 0 49 3 2 0.2600896E-04 0 54 3 3 0.3140891E-05 0 13 5 -5 0.6898429E-07 0 17 5 -4 0.1809866E-06 0 22 5 -3 0.3609690E-05 0 27 5 -2 0.4674335E-04 0 33 5 -1 0.1379098E-03 0 39 5 0 0.1357684E-03 0 45 5 1 0.1379098E-03 0 50 5 2 0.4674332E-04 0 55 5 3 0.3609698E-05 0 59 5 4 0.1809742E-06 0 63 5 5 0.6897973E-07 0 7 7 -7 0.3254001E-07 0 10 7 -6 0.5605752E-07 0 14 7 -5 0.9492493E-07 0 18 7 -4 0.3034016E-06 0 23 7 -3 0.3411158E-05 0 28 7 -2 0.1188934E-04 0 34 7 -1 0.4274640E-04 0 40 7 0 0.8217015E-04 0 46 7 1 0.4274640E-04 0 51 7 2 0.1188932E-04 0 56 7 3 0.3411168E-05 0 60 7 4 0.3034054E-06 0 64 7 5 0.9491575E-07 0 67 7 6 0.5605718E-07 0 70 7 7 0.3253002E-07 0 3 9 -9 0.1139394E-09 0 5 9 -8 0.3072192E-09 0 8 9 -7 0.7098918E-09 0 11 9 -6 0.2161955E-08 0 15 9 -5 0.2922082E-08 0 19 9 -4 0.7305762E-08 0 24 9 -3 0.4052866E-07 0 29 9 -2 0.6227154E-07 0 35 9 -1 0.3311154E-06 0 41 9 0 0.9078763E-06 0 47 9 1 0.3311154E-06 0 52 9 2 0.6227163E-07 0 57 9 3 0.4052875E-07 0 61 9 4 0.7305749E-08 0 65 9 5 0.2922109E-08 0 68 9 6 0.2161966E-08 0 71 9 7 0.7098894E-09 0 73 9 8 0.3072164E-09 0 75 9 9 0.1139434E-09 0 1 11 -11 0.0000000E+00 0 2 11 -10 0.0000000E+00 0 4 11 -9 0.0000000E+00 0 6 11 -8 0.0000000E+00 0 9 11 -7 0.0000000E+00 0 12 11 -6 0.0000000E+00 0 16 11 -5 0.0000000E+00 0 20 11 -4 0.0000000E+00 0 25 11 -3 0.0000000E+00 0 30 11 -2 0.0000000E+00 0 36 11 -1 0.0000000E+00 0 42 11 0 0.0000000E+00 0 48 11 1 0.0000000E+00 0 53 11 2 0.0000000E+00 0 58 11 3 0.0000000E+00 0 62 11 4 0.0000000E+00 0 66 11 5 0.0000000E+00 0 69 11 6 0.0000000E+00 0 72 11 7 0.0000000E+00 0 74 11 8 0.0000000E+00 0 76 11 9 0.0000000E+00 0 77 11 10 0.0000000E+00 0 78 11 11 0.0000000E+00 1 31 1 -1 0.1258320E+00 1 37 1 0 0.6330582E+00 1 43 1 1 0.1258320E+00 1 21 3 -3 0.5212958E-05 1 26 3 -2 0.8194949E-03 1 32 3 -1 0.2172934E-01 1 38 3 0 0.7056975E-01 1 44 3 1 0.2172934E-01 1 49 3 2 0.8194948E-03 1 54 3 3 0.5213014E-05 1 13 5 -5 0.1475965E-07 1 17 5 -4 0.5337126E-07 1 22 5 -3 0.2206142E-06 1 27 5 -2 0.2657827E-06 1 33 5 -1 0.1529814E-05 1 39 5 0 0.1795885E-04 1 45 5 1 0.1529814E-05 1 50 5 2 0.2657827E-06 1 55 5 3 0.2206143E-06 1 59 5 4 0.5337128E-07 1 63 5 5 0.1475967E-07 1 7 7 -7 0.0000000E+00 1 10 7 -6 0.0000000E+00 1 14 7 -5 0.0000000E+00 1 18 7 -4 0.0000000E+00 1 23 7 -3 0.0000000E+00 1 28 7 -2 0.0000000E+00 1 34 7 -1 0.0000000E+00 1 40 7 0 0.0000000E+00 1 46 7 1 0.0000000E+00 1 51 7 2 0.0000000E+00 1 56 7 3 0.0000000E+00 1 60 7 4 0.0000000E+00 1 64 7 5 0.0000000E+00 1 67 7 6 0.0000000E+00 1 70 7 7 0.0000000E+00 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.0000000E+00 2 37 1 0 0.0000000E+00 2 43 1 1 0.0000000E+00 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.6918144E-16 1 0.9988388E-05 2 0.1691544E-04 3 0.3438869E-05 4 0.1356806E-06 5 0.4753607E-07 6 0.2740086E-07 7 0.3754579E-07 8 0.2219045E-08 9 0.5137537E-09 v, j, mj = 0 1 0 0 0.8284217E-05 1 0.1008475E-04 2 0.1835621E-05 3 0.4310957E-05 4 0.3889855E-06 5 0.1103292E-06 6 0.5531126E-07 7 0.5809540E-08 8 0.5852204E-09 9 0.2458684E-09 v, j, mj = 0 1 1 0 0.3587083E-14 1 0.9988374E-05 2 0.1691542E-04 3 0.3438875E-05 4 0.1356746E-06 5 0.4753576E-07 6 0.2739889E-07 7 0.3754717E-07 8 0.2219188E-08 9 0.5137383E-09 v, j, mj = 0 3 -3 0 0.1078565E-08 1 0.3474124E-07 2 0.8637401E-06 3 0.1802112E-05 4 0.3848030E-06 5 0.2457053E-07 6 0.2196554E-07 7 0.5288220E-08 8 0.1875409E-08 9 0.7193114E-09 v, j, mj = 0 3 -2 0 0.3268986E-14 1 0.2661607E-05 2 0.1246751E-04 3 0.9356288E-05 4 0.1357949E-05 5 0.1104162E-06 6 0.4656777E-07 7 0.5853942E-08 8 0.2032998E-08 9 0.6779743E-09 v, j, mj = 0 3 -1 0 0.2188983E-15 1 0.2218671E-04 2 0.2995905E-04 3 0.1381462E-04 4 0.2192016E-05 5 0.1879749E-06 6 0.2553396E-07 7 0.5526453E-08 8 0.6926919E-09 9 0.8556934E-09 v, j, mj = 0 3 0 0 0.7243607E-05 1 0.8373706E-05 2 0.8070430E-05 3 0.1606021E-04 4 0.2221448E-05 5 0.1783846E-06 6 0.4688433E-07 7 0.4336569E-08 8 0.1174876E-08 9 0.4754857E-09 v, j, mj = 0 3 1 0 0.2603913E-15 1 0.2218670E-04 2 0.2995904E-04 3 0.1381462E-04 4 0.2192011E-05 5 0.1879788E-06 6 0.2552886E-07 7 0.5526646E-08 8 0.6927749E-09 9 0.8556846E-09 v, j, mj = 0 3 2 0 0.3407465E-14 1 0.2661610E-05 2 0.1246754E-04 3 0.9356306E-05 4 0.1357954E-05 5 0.1104155E-06 6 0.4656889E-07 7 0.5853469E-08 8 0.2033074E-08 9 0.6779693E-09 v, j, mj = 0 3 3 0 0.1084013E-08 1 0.3473757E-07 2 0.8637343E-06 3 0.1802107E-05 4 0.3848106E-06 5 0.2456822E-07 6 0.2196624E-07 7 0.5288394E-08 8 0.1875428E-08 9 0.7193177E-09 v, j, mj = 0 5 -5 0 0.1676516E-14 1 0.2110228E-08 2 0.5461214E-08 3 0.1153497E-07 4 0.2261963E-07 5 0.1469991E-07 6 0.7017863E-08 7 0.4132744E-08 8 0.1300493E-08 9 0.1072464E-09 v, j, mj = 0 5 -4 0 0.1619783E-13 1 0.3294774E-07 2 0.6560411E-07 3 0.2997814E-07 4 0.1231033E-07 5 0.2525051E-07 6 0.1083383E-07 7 0.2140248E-08 8 0.1696901E-08 9 0.2247886E-09 v, j, mj = 0 5 -3 0 0.1963261E-08 1 0.1412899E-06 2 0.1803510E-05 3 0.1292957E-05 4 0.2887718E-06 5 0.6121632E-07 6 0.9319023E-08 7 0.8612644E-08 8 0.1627556E-08 9 0.4222838E-09 v, j, mj = 0 5 -2 0 0.3421510E-13 1 0.6725468E-05 2 0.2560091E-04 3 0.1257016E-04 4 0.1778049E-05 5 0.5583261E-07 6 0.6914189E-08 7 0.4296229E-08 8 0.1620056E-08 9 0.1000340E-09 v, j, mj = 0 5 -1 0 0.8458780E-15 1 0.4859182E-04 2 0.6412311E-04 3 0.2226674E-04 4 0.2681918E-05 5 0.2189206E-06 6 0.1676326E-07 7 0.7042386E-08 8 0.2880059E-08 9 0.6182876E-09 v, j, mj = 0 5 0 0 0.3831021E-04 1 0.7456211E-04 2 0.8632346E-05 3 0.1094462E-04 4 0.3166293E-05 5 0.1360565E-06 6 0.9340487E-08 7 0.5606302E-08 8 0.1679881E-08 9 0.1103970E-09 v, j, mj = 0 5 1 0 0.4777625E-16 1 0.4859183E-04 2 0.6412311E-04 3 0.2226673E-04 4 0.2681914E-05 5 0.2189203E-06 6 0.1676228E-07 7 0.7042513E-08 8 0.2880050E-08 9 0.6182846E-09 v, j, mj = 0 5 2 0 0.3507660E-13 1 0.6725467E-05 2 0.2560090E-04 3 0.1257015E-04 4 0.1778042E-05 5 0.5582935E-07 6 0.6913800E-08 7 0.4296289E-08 8 0.1620044E-08 9 0.1000323E-09 v, j, mj = 0 5 3 0 0.1965308E-08 1 0.1412940E-06 2 0.1803513E-05 3 0.1292955E-05 4 0.2887759E-06 5 0.6121438E-07 6 0.9318218E-08 7 0.8612672E-08 8 0.1627541E-08 9 0.4222819E-09 v, j, mj = 0 5 4 0 0.1680848E-13 1 0.3294899E-07 2 0.6559638E-07 3 0.2997754E-07 4 0.1230762E-07 5 0.2524846E-07 6 0.1083325E-07 7 0.2140240E-08 8 0.1696904E-08 9 0.2247926E-09 v, j, mj = 0 5 5 0 0.3642988E-14 1 0.2110686E-08 2 0.5457718E-08 3 0.1153395E-07 4 0.2262015E-07 5 0.1469901E-07 6 0.7017766E-08 7 0.4132720E-08 8 0.1300479E-08 9 0.1072477E-09 v, j, mj = 0 7 -7 0 0.3309552E-15 1 0.1016907E-07 2 0.8835037E-08 3 0.4876217E-08 4 0.2684300E-08 5 0.1990816E-08 6 0.1796638E-08 7 0.2187941E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6469471E-08 1 0.1214868E-07 2 0.6801427E-08 3 0.4793475E-08 4 0.9665209E-08 5 0.5554922E-08 6 0.3396017E-08 7 0.7228323E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1527315E-14 1 0.1422420E-07 2 0.2906460E-08 3 0.8568364E-08 4 0.3789844E-07 5 0.1426816E-07 6 0.1111754E-07 7 0.5941765E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1993983E-14 1 0.2127079E-07 2 0.4878866E-07 3 0.1255899E-06 4 0.7382553E-07 5 0.1698905E-07 6 0.8355912E-08 7 0.8581731E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2689149E-08 1 0.1078798E-05 2 0.1666058E-05 3 0.5200285E-06 4 0.1004722E-06 5 0.2100064E-07 6 0.1476516E-07 7 0.7345770E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.6769248E-14 1 0.2590242E-05 2 0.7314284E-05 3 0.1878463E-05 4 0.5734252E-07 5 0.2731293E-07 6 0.1417215E-07 7 0.7519441E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2026286E-14 1 0.2191541E-04 2 0.1802905E-04 3 0.2554779E-05 4 0.2043921E-06 5 0.2518959E-07 6 0.1043034E-07 7 0.7148074E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2135973E-04 1 0.4524918E-04 2 0.1269115E-04 3 0.2778338E-05 4 0.3969171E-07 5 0.2701924E-07 6 0.1670249E-07 7 0.8347633E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1333577E-14 1 0.2191541E-04 2 0.1802905E-04 3 0.2554779E-05 4 0.2043917E-06 5 0.2518941E-07 6 0.1043038E-07 7 0.7148068E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.7879415E-14 1 0.2590233E-05 2 0.7314283E-05 3 0.1878459E-05 4 0.5734468E-07 5 0.2731311E-07 6 0.1417213E-07 7 0.7519448E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2695906E-08 1 0.1078793E-05 2 0.1666064E-05 3 0.5200310E-06 4 0.1004723E-06 5 0.2100064E-07 6 0.1476517E-07 7 0.7345750E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1816446E-14 1 0.2127168E-07 2 0.4878733E-07 3 0.1255892E-06 4 0.7383007E-07 5 0.1698949E-07 6 0.8355906E-08 7 0.8581739E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1069713E-14 1 0.1422489E-07 2 0.2899712E-08 3 0.8563834E-08 4 0.3790004E-07 5 0.1426793E-07 6 0.1111757E-07 7 0.5941769E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6469902E-08 1 0.1214974E-07 2 0.6803715E-08 3 0.4788561E-08 4 0.9665798E-08 5 0.5555122E-08 6 0.3396012E-08 7 0.7228332E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1680223E-15 1 0.1016680E-07 2 0.8827946E-08 3 0.4877503E-08 4 0.2682574E-08 5 0.1990629E-08 6 0.1796634E-08 7 0.2187929E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3965895E-12 1 0.1379298E-11 2 0.2707158E-10 3 0.5176070E-10 4 0.3333126E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1163227E-16 1 0.3936265E-11 2 0.3984711E-10 3 0.7933239E-10 4 0.1841034E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1385151E-17 1 0.3728566E-10 2 0.2370972E-10 3 0.3202051E-09 4 0.3286913E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4658100E-10 1 0.8497105E-10 2 0.4398729E-09 3 0.5368617E-09 4 0.1053668E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2604936E-17 1 0.8680091E-10 2 0.1902717E-09 3 0.1006778E-08 4 0.1638232E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1084642E-17 1 0.8042936E-09 2 0.2031697E-08 3 0.1779605E-08 4 0.2690166E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3003670E-09 1 0.6281790E-08 2 0.2161202E-07 3 0.5893098E-08 4 0.6441384E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1000214E-17 1 0.2218257E-07 2 0.3275888E-07 3 0.1745100E-08 4 0.5584992E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1899426E-17 1 0.2189050E-06 2 0.9830891E-07 3 0.4360918E-08 4 0.9540492E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3457335E-06 1 0.5047881E-06 2 0.4812844E-07 3 0.2964973E-08 4 0.6261199E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.3793477E-17 1 0.2189051E-06 2 0.9830896E-07 3 0.4360915E-08 4 0.9540490E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3852333E-17 1 0.2218258E-07 2 0.3275894E-07 3 0.1745102E-08 4 0.5585008E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3004881E-09 1 0.6281758E-08 2 0.2161204E-07 3 0.5893087E-08 4 0.6441374E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.8090292E-17 1 0.8043025E-09 2 0.2031679E-08 3 0.1779609E-08 4 0.2690158E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1985880E-17 1 0.8680359E-10 2 0.1902964E-09 3 0.1006780E-08 4 0.1638229E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.4658505E-10 1 0.8497163E-10 2 0.4398707E-09 3 0.5368674E-09 4 0.1053671E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1060833E-17 1 0.3728563E-10 2 0.2370818E-10 3 0.3202041E-09 4 0.3286915E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1390982E-16 1 0.3936842E-11 2 0.3984645E-10 3 0.7933177E-10 4 0.1841014E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3970659E-12 1 0.1380751E-11 2 0.2707365E-10 3 0.5176158E-10 4 0.3333033E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1276229E-14 1 0.3394707E-01 2 0.7689566E-01 3 0.1468607E-01 4 0.3022982E-03 5 0.8626541E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.4446494E+00 1 0.1595107E+00 2 0.2829774E-01 3 0.5490372E-03 4 0.5078071E-04 5 0.5003515E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6164247E-15 1 0.3394707E-01 2 0.7689566E-01 3 0.1468607E-01 4 0.3022982E-03 5 0.8626542E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2970267E-06 1 0.2295875E-05 2 0.1918728E-05 3 0.6229157E-06 4 0.7841368E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.4492045E-15 1 0.6103006E-03 2 0.1927895E-03 3 0.1572780E-04 4 0.6769712E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2386370E-15 1 0.1618264E-01 2 0.5177415E-02 3 0.3633954E-03 4 0.5883537E-05 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3433263E-01 1 0.3378854E-01 2 0.2431586E-02 3 0.1424634E-04 4 0.2747742E-05 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2247928E-15 1 0.1618264E-01 2 0.5177414E-02 3 0.3633954E-03 4 0.5883537E-05 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.4422022E-15 1 0.6103006E-03 2 0.1927895E-03 3 0.1572780E-04 4 0.6769712E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.2970383E-06 1 0.2295904E-05 2 0.1918741E-05 3 0.6229169E-06 4 0.7841367E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.2508107E-16 1 0.1475965E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.3263170E-18 1 0.5337126E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.1553876E-07 1 0.2050755E-06 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.4571929E-17 1 0.2657827E-06 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.2645616E-17 1 0.1529814E-05 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.7905620E-05 1 0.1005323E-04 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.6523776E-18 1 0.1529814E-05 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.8585195E-17 1 0.2657827E-06 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1553883E-07 1 0.2050755E-06 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1934586E-17 1 0.5337128E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.1540844E-16 1 0.1475967E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0014595 average vibrational energy (ev) = 0.508902 average rotational energy (ev) = 0.022953 average diffraction energy (ev) = 0.009709 the reaction probability = -0.1459451D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40991080D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1090487E-01 0.3347885E-01 0.1422090E+00 1 0.9883277E+00 0.1713953E-01 0.3388714E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.6673442E-03 0 37 1 0 0.7292481E-03 0 43 1 1 0.6673438E-03 0 21 3 -3 0.5259414E-04 0 26 3 -2 0.4426040E-03 0 32 3 -1 0.9620822E-03 0 38 3 0 0.1546874E-02 0 44 3 1 0.9620819E-03 0 49 3 2 0.4426047E-03 0 54 3 3 0.5259376E-04 0 13 5 -5 0.4638511E-06 0 17 5 -4 0.8259530E-06 0 22 5 -3 0.1713285E-04 0 27 5 -2 0.2985071E-03 0 33 5 -1 0.1009521E-02 0 39 5 0 0.5689577E-03 0 45 5 1 0.1009521E-02 0 50 5 2 0.2985071E-03 0 55 5 3 0.1713280E-04 0 59 5 4 0.8259423E-06 0 63 5 5 0.4638779E-06 0 7 7 -7 0.1234269E-06 0 10 7 -6 0.1082753E-06 0 14 7 -5 0.2835956E-06 0 18 7 -4 0.1064836E-05 0 23 7 -3 0.1319726E-04 0 28 7 -2 0.9872918E-04 0 34 7 -1 0.3595273E-03 0 40 7 0 0.2080065E-03 0 46 7 1 0.3595273E-03 0 51 7 2 0.9872911E-04 0 56 7 3 0.1319731E-04 0 60 7 4 0.1064858E-05 0 64 7 5 0.2835833E-06 0 67 7 6 0.1082755E-06 0 70 7 7 0.1234434E-06 0 3 9 -9 0.3941576E-09 0 5 9 -8 0.1188807E-08 0 8 9 -7 0.3703406E-08 0 11 9 -6 0.1686018E-07 0 15 9 -5 0.1410289E-07 0 19 9 -4 0.3552535E-07 0 24 9 -3 0.7554309E-07 0 29 9 -2 0.2966216E-06 0 35 9 -1 0.8763620E-06 0 41 9 0 0.9206613E-06 0 47 9 1 0.8763625E-06 0 52 9 2 0.2966220E-06 0 57 9 3 0.7554382E-07 0 61 9 4 0.3552455E-07 0 65 9 5 0.1410308E-07 0 68 9 6 0.1685994E-07 0 71 9 7 0.3703493E-08 0 73 9 8 0.1188621E-08 0 75 9 9 0.3942252E-09 0 1 11 -11 0.0000000E+00 0 2 11 -10 0.0000000E+00 0 4 11 -9 0.0000000E+00 0 6 11 -8 0.0000000E+00 0 9 11 -7 0.0000000E+00 0 12 11 -6 0.0000000E+00 0 16 11 -5 0.0000000E+00 0 20 11 -4 0.0000000E+00 0 25 11 -3 0.0000000E+00 0 30 11 -2 0.0000000E+00 0 36 11 -1 0.0000000E+00 0 42 11 0 0.0000000E+00 0 48 11 1 0.0000000E+00 0 53 11 2 0.0000000E+00 0 58 11 3 0.0000000E+00 0 62 11 4 0.0000000E+00 0 66 11 5 0.0000000E+00 0 69 11 6 0.0000000E+00 0 72 11 7 0.0000000E+00 0 74 11 8 0.0000000E+00 0 76 11 9 0.0000000E+00 0 77 11 10 0.0000000E+00 0 78 11 11 0.0000000E+00 1 31 1 -1 0.1354817E+00 1 37 1 0 0.4526708E+00 1 43 1 1 0.1354817E+00 1 21 3 -3 0.7254512E-04 1 26 3 -2 0.5090344E-02 1 32 3 -1 0.4129926E-01 1 38 3 0 0.1701139E+00 1 44 3 1 0.4129926E-01 1 49 3 2 0.5090344E-02 1 54 3 3 0.7254523E-04 1 13 5 -5 0.2014386E-06 1 17 5 -4 0.9289700E-06 1 22 5 -3 0.4854902E-06 1 27 5 -2 0.1368265E-04 1 33 5 -1 0.2242478E-03 1 39 5 0 0.1176164E-02 1 45 5 1 0.2242478E-03 1 50 5 2 0.1368264E-04 1 55 5 3 0.4854918E-06 1 59 5 4 0.9289706E-06 1 63 5 5 0.2014387E-06 1 7 7 -7 0.0000000E+00 1 10 7 -6 0.0000000E+00 1 14 7 -5 0.0000000E+00 1 18 7 -4 0.0000000E+00 1 23 7 -3 0.0000000E+00 1 28 7 -2 0.0000000E+00 1 34 7 -1 0.0000000E+00 1 40 7 0 0.0000000E+00 1 46 7 1 0.0000000E+00 1 51 7 2 0.0000000E+00 1 56 7 3 0.0000000E+00 1 60 7 4 0.0000000E+00 1 64 7 5 0.0000000E+00 1 67 7 6 0.0000000E+00 1 70 7 7 0.0000000E+00 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.0000000E+00 2 37 1 0 0.0000000E+00 2 43 1 1 0.0000000E+00 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.9627412E-13 1 0.1679117E-03 2 0.3428878E-03 3 0.1441463E-03 4 0.1210298E-04 5 0.1566510E-06 6 0.8228398E-07 7 0.4725444E-07 8 0.7453551E-08 9 0.1770273E-08 v, j, mj = 0 1 0 0 0.1131598E-03 1 0.2815418E-03 2 0.1417851E-03 3 0.1618253E-03 4 0.2980819E-04 5 0.1009866E-05 6 0.8151802E-07 7 0.3041219E-07 8 0.4985828E-08 9 0.1046451E-08 v, j, mj = 0 1 1 0 0.6532492E-13 1 0.1679114E-03 2 0.3428877E-03 3 0.1441463E-03 4 0.1210298E-04 5 0.1566601E-06 6 0.8227734E-07 7 0.4725606E-07 8 0.7452615E-08 9 0.1770275E-08 v, j, mj = 0 3 -3 0 0.2745557E-07 1 0.1887322E-06 2 0.1024050E-04 3 0.2581441E-04 4 0.1458293E-04 5 0.1655150E-05 6 0.6400384E-07 7 0.1375186E-07 8 0.6690954E-08 9 0.5054275E-09 v, j, mj = 0 3 -2 0 0.4620421E-12 1 0.1315918E-04 2 0.1647978E-03 3 0.2068188E-03 4 0.5372728E-04 5 0.3951848E-05 6 0.1315642E-06 7 0.1268207E-07 8 0.3283118E-08 9 0.1540593E-08 v, j, mj = 0 3 -1 0 0.1715178E-13 1 0.1417615E-03 2 0.4567194E-03 3 0.2898022E-03 4 0.6852040E-04 5 0.5102610E-05 6 0.1618631E-06 7 0.1017659E-07 8 0.3738140E-08 9 0.3141180E-09 v, j, mj = 0 3 0 0 0.4284526E-03 1 0.8482730E-03 2 0.2451580E-04 3 0.1612785E-03 4 0.7788078E-04 5 0.6190886E-05 6 0.2540788E-06 7 0.2355092E-07 8 0.4234644E-08 9 0.1051577E-08 v, j, mj = 0 3 1 0 0.1666255E-13 1 0.1417613E-03 2 0.4567192E-03 3 0.2898023E-03 4 0.6852041E-04 5 0.5102612E-05 6 0.1618626E-06 7 0.1017158E-07 8 0.3737985E-08 9 0.3141554E-09 v, j, mj = 0 3 2 0 0.4348364E-12 1 0.1315915E-04 2 0.1647981E-03 3 0.2068192E-03 4 0.5372729E-04 5 0.3951852E-05 6 0.1315735E-06 7 0.1267952E-07 8 0.3282842E-08 9 0.1540604E-08 v, j, mj = 0 3 3 0 0.2745435E-07 1 0.1886794E-06 2 0.1024031E-04 3 0.2581424E-04 4 0.1458298E-04 5 0.1655140E-05 6 0.6400259E-07 7 0.1375218E-07 8 0.6691218E-08 9 0.5054370E-09 v, j, mj = 0 5 -5 0 0.9670121E-14 1 0.2368670E-08 2 0.1165602E-07 3 0.1007792E-06 4 0.2149172E-06 5 0.9605570E-07 6 0.2872681E-07 7 0.5654760E-08 8 0.2125456E-08 9 0.1567327E-08 v, j, mj = 0 5 -4 0 0.1911083E-12 1 0.1631310E-07 2 0.2412586E-06 3 0.1676235E-06 4 0.3034337E-06 5 0.7700253E-07 6 0.1067273E-07 7 0.6208138E-08 8 0.2345810E-08 9 0.1094718E-08 v, j, mj = 0 5 -3 0 0.7953005E-08 1 0.1072544E-05 2 0.6310741E-05 3 0.4857315E-05 4 0.4120390E-05 5 0.7184111E-06 6 0.3435831E-07 7 0.4110565E-08 8 0.5829197E-08 9 0.1193266E-08 v, j, mj = 0 5 -2 0 0.3625348E-12 1 0.3674984E-04 2 0.1143134E-03 3 0.1114170E-03 4 0.3295585E-04 5 0.3013579E-05 6 0.5127402E-07 7 0.4088454E-08 8 0.1166786E-08 9 0.8969934E-09 v, j, mj = 0 5 -1 0 0.4972284E-14 1 0.2996880E-03 2 0.4309577E-03 3 0.2196044E-03 4 0.5486368E-04 5 0.4281925E-05 6 0.1176031E-06 7 0.2602072E-08 8 0.4370343E-08 9 0.1274469E-08 v, j, mj = 0 5 0 0 0.8028540E-04 1 0.2650519E-03 2 0.1425859E-03 3 0.4144614E-04 4 0.3535918E-04 5 0.4134986E-05 6 0.8769419E-07 7 0.3979611E-08 8 0.1297359E-08 9 0.1226881E-08 v, j, mj = 0 5 1 0 0.1424871E-14 1 0.2996880E-03 2 0.4309576E-03 3 0.2196043E-03 4 0.5486370E-04 5 0.4281913E-05 6 0.1175975E-06 7 0.2602418E-08 8 0.4370369E-08 9 0.1274479E-08 v, j, mj = 0 5 2 0 0.3644802E-12 1 0.3674986E-04 2 0.1143134E-03 3 0.1114170E-03 4 0.3295585E-04 5 0.3013584E-05 6 0.5127279E-07 7 0.4088339E-08 8 0.1166825E-08 9 0.8969881E-09 v, j, mj = 0 5 3 0 0.7940129E-08 1 0.1072527E-05 2 0.6310766E-05 3 0.4857290E-05 4 0.4120383E-05 5 0.7184003E-06 6 0.3436027E-07 7 0.4110885E-08 8 0.5829190E-08 9 0.1193266E-08 v, j, mj = 0 5 4 0 0.1773097E-12 1 0.1634464E-07 2 0.2412560E-06 3 0.1676058E-06 4 0.3034318E-06 5 0.7698332E-07 6 0.1067182E-07 7 0.6208303E-08 8 0.2345806E-08 9 0.1094725E-08 v, j, mj = 0 5 5 0 0.8615994E-13 1 0.2351296E-08 2 0.1167064E-07 3 0.1008123E-06 4 0.2149208E-06 5 0.9604916E-07 6 0.2872622E-07 7 0.5654576E-08 8 0.2125469E-08 9 0.1567322E-08 v, j, mj = 0 7 -7 0 0.7180409E-14 1 0.3858930E-07 2 0.4609280E-07 3 0.2103016E-07 4 0.8364756E-08 5 0.5088338E-08 6 0.2991372E-08 7 0.1250948E-08 8 0.1917719E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.8643044E-08 1 0.2226352E-07 2 0.8628530E-08 3 0.3238199E-07 4 0.1626396E-07 5 0.9777898E-08 6 0.4660213E-08 7 0.5631032E-08 8 0.2507360E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1511875E-14 1 0.5367843E-07 2 0.6705178E-07 3 0.4951944E-07 4 0.7988079E-07 5 0.1762450E-07 6 0.1173626E-07 7 0.4039420E-08 8 0.6496775E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1501451E-13 1 0.1119549E-06 2 0.2493914E-06 3 0.5637735E-06 4 0.1111540E-06 5 0.1639821E-07 6 0.6474312E-08 7 0.5685242E-08 8 0.4116166E-11 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3996749E-08 1 0.8603368E-06 2 0.1002116E-04 3 0.1979026E-05 4 0.2794180E-06 5 0.4072890E-07 6 0.9678254E-08 7 0.2897934E-08 8 0.2045219E-10 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8825490E-13 1 0.2350854E-04 2 0.6020898E-04 3 0.1358613E-04 4 0.1357178E-05 5 0.5160403E-07 6 0.1298644E-07 7 0.3741656E-08 8 0.1968198E-10 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1717536E-13 1 0.1910419E-03 2 0.1429867E-03 3 0.2331931E-04 4 0.2080484E-05 5 0.8955350E-07 6 0.7564493E-08 7 0.1815544E-08 8 0.2206259E-10 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1372713E-04 1 0.6353522E-04 2 0.1111927E-03 3 0.1844780E-04 4 0.1014913E-05 5 0.7074416E-07 6 0.1478541E-07 7 0.3251404E-08 8 0.3176169E-10 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8424053E-14 1 0.1910418E-03 2 0.1429867E-03 3 0.2331932E-04 4 0.2080486E-05 5 0.8955523E-07 6 0.7564406E-08 7 0.1815545E-08 8 0.2206200E-10 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.9399896E-13 1 0.2350850E-04 2 0.6020894E-04 3 0.1358613E-04 4 0.1357185E-05 5 0.5160234E-07 6 0.1298615E-07 7 0.3741632E-08 8 0.1968225E-10 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4013103E-08 1 0.8603178E-06 2 0.1002119E-04 3 0.1979035E-05 4 0.2794298E-06 5 0.4072953E-07 6 0.9678253E-08 7 0.2897940E-08 8 0.2045203E-10 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1359446E-13 1 0.1119767E-06 2 0.2493822E-06 3 0.5637571E-06 4 0.1111785E-06 5 0.1640035E-07 6 0.6474034E-08 7 0.5685223E-08 8 0.4116064E-11 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1337140E-14 1 0.5367599E-07 2 0.6703900E-07 3 0.4951738E-07 4 0.7988946E-07 5 0.1762089E-07 6 0.1173618E-07 7 0.4039404E-08 8 0.6496772E-10 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.8641142E-08 1 0.2225713E-07 2 0.8630517E-08 3 0.3239852E-07 4 0.1625321E-07 5 0.9778636E-08 6 0.4660256E-08 7 0.5631033E-08 8 0.2507331E-10 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.7294936E-14 1 0.3858452E-07 2 0.4609504E-07 3 0.2104986E-07 4 0.8366320E-08 5 0.5086362E-08 6 0.2991220E-08 7 0.1250938E-08 8 0.1917704E-10 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3772139E-11 1 0.1196037E-10 2 0.3876997E-10 3 0.2011666E-09 4 0.6594627E-10 5 0.7254219E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.4174749E-16 1 0.5305819E-11 2 0.6945629E-10 3 0.1363594E-09 4 0.1806642E-09 5 0.7970213E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.8056993E-17 1 0.1911535E-09 2 0.1354942E-09 3 0.4006267E-09 4 0.7001811E-09 5 0.2275951E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1574480E-08 1 0.4602842E-10 2 0.4731383E-09 3 0.5633031E-09 4 0.4152980E-08 5 0.1005025E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.4457930E-16 1 0.1642345E-08 2 0.2284307E-08 3 0.9954108E-09 4 0.7206087E-08 5 0.1974741E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.9484531E-17 1 0.3194590E-08 2 0.5581926E-08 3 0.1724526E-08 4 0.6994053E-08 5 0.1803026E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.8190647E-10 1 0.2884785E-07 2 0.3412345E-07 3 0.2796042E-08 4 0.4388198E-08 5 0.5305636E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.9734303E-16 1 0.1441371E-06 2 0.1187534E-06 3 0.3046786E-08 4 0.8648484E-08 5 0.2203580E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.5349758E-16 1 0.7557299E-06 2 0.8695402E-07 3 0.1836644E-07 4 0.7272031E-08 5 0.8039679E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.4614105E-06 1 0.2848252E-06 2 0.1437370E-06 3 0.2270728E-08 4 0.7041708E-08 5 0.2137616E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.9187385E-16 1 0.7557304E-06 2 0.8695402E-07 3 0.1836637E-07 4 0.7271996E-08 5 0.8039678E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1260592E-15 1 0.1441373E-06 2 0.1187537E-06 3 0.3046827E-08 4 0.8648472E-08 5 0.2203575E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.8221349E-10 1 0.2884847E-07 2 0.3412337E-07 3 0.2795954E-08 4 0.4388189E-08 5 0.5305626E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3245675E-17 1 0.3193910E-08 2 0.5581875E-08 3 0.1724467E-08 4 0.6994057E-08 5 0.1803024E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.4993836E-16 1 0.1642334E-08 2 0.2284464E-08 3 0.9954382E-09 4 0.7206104E-08 5 0.1974742E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1574482E-08 1 0.4602956E-10 2 0.4730171E-09 3 0.5632119E-09 4 0.4152960E-08 5 0.1005024E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.6942464E-17 1 0.1911492E-09 2 0.1355364E-09 3 0.4006737E-09 4 0.7001919E-09 5 0.2275942E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3420557E-16 1 0.5300419E-11 2 0.6934499E-10 3 0.1362869E-09 4 0.1806634E-09 5 0.7970253E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3748100E-11 1 0.1194202E-10 2 0.3885796E-10 3 0.2011915E-09 4 0.6594134E-10 5 0.7254428E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1364498E-13 1 0.3818132E-01 2 0.2343007E-01 3 0.6626806E-01 4 0.7531011E-02 5 0.7113692E-04 6 0.1086368E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2165255E+00 1 0.2147082E+00 2 0.1864849E-01 3 0.2664604E-02 4 0.1160263E-03 5 0.8028179E-05 6 0.7137959E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3527814E-13 1 0.3818132E-01 2 0.2343008E-01 3 0.6626806E-01 4 0.7531010E-02 5 0.7113692E-04 6 0.1086366E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.3270278E-06 1 0.1307166E-04 2 0.4687060E-04 3 0.1139572E-04 4 0.7894783E-06 5 0.9063856E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1592787E-13 1 0.3329450E-02 2 0.1615064E-02 3 0.1408406E-03 4 0.4955310E-05 5 0.3358237E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.4450440E-14 1 0.2290318E-01 2 0.1273694E-01 3 0.5370190E-02 4 0.2878629E-03 5 0.1090510E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.8422035E-01 1 0.8238546E-01 2 0.3366489E-02 3 0.1226606E-03 4 0.1822256E-04 5 0.6766966E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.4894836E-14 1 0.2290318E-01 2 0.1273694E-01 3 0.5370190E-02 4 0.2878629E-03 5 0.1090510E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1860226E-13 1 0.3329450E-02 2 0.1615064E-02 3 0.1408406E-03 4 0.4955307E-05 5 0.3358231E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3274138E-06 1 0.1307153E-04 2 0.4687044E-04 3 0.1139573E-04 4 0.7894757E-06 5 0.9063858E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1053620E-16 1 0.4919578E-07 2 0.6623510E-07 3 0.8600777E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2519070E-16 1 0.8470969E-06 2 0.7083888E-07 3 0.1103424E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.2317109E-07 1 0.1613154E-06 2 0.1751189E-06 3 0.1258847E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.2935591E-17 1 0.9772907E-05 2 0.3503073E-05 3 0.4066667E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.2599919E-16 1 0.1826197E-03 2 0.4025620E-04 3 0.1371989E-05 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.5164087E-03 1 0.6129974E-03 2 0.4628428E-04 3 0.4740208E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.2409391E-16 1 0.1826197E-03 2 0.4025620E-04 3 0.1371991E-05 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1005753E-16 1 0.9772907E-05 2 0.3503071E-05 3 0.4066658E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.2317263E-07 1 0.1613162E-06 2 0.1751184E-06 3 0.1258845E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1743812E-16 1 0.8470972E-06 2 0.7083914E-07 3 0.1103426E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.9708376E-17 1 0.4919584E-07 2 0.6623506E-07 3 0.8600782E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9992326 average vibrational energy (ev) = 0.503870 average rotational energy (ev) = 0.035069 average diffraction energy (ev) = 0.017318 the reaction probability = 0.7674428D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40419651D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.4221367E-01 0.3096919E-01 0.1247417E+00 1 0.9529813E+00 0.2462274E-01 0.3919649E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.3571030E-02 0 37 1 0 0.4722283E-02 0 43 1 1 0.3571028E-02 0 21 3 -3 0.2222935E-03 0 26 3 -2 0.1248231E-02 0 32 3 -1 0.3085539E-02 0 38 3 0 0.7036573E-02 0 44 3 1 0.3085536E-02 0 49 3 2 0.1248231E-02 0 54 3 3 0.2222901E-03 0 13 5 -5 0.5837045E-05 0 17 5 -4 0.7728763E-05 0 22 5 -3 0.5429511E-04 0 27 5 -2 0.6234889E-03 0 33 5 -1 0.1215654E-02 0 39 5 0 0.6611763E-02 0 45 5 1 0.1215654E-02 0 50 5 2 0.6234880E-03 0 55 5 3 0.5429513E-04 0 59 5 4 0.7728927E-05 0 63 5 5 0.5836875E-05 0 7 7 -7 0.1817187E-06 0 10 7 -6 0.4668229E-06 0 14 7 -5 0.1203603E-05 0 18 7 -4 0.4973530E-05 0 23 7 -3 0.5437503E-04 0 28 7 -2 0.3053371E-03 0 34 7 -1 0.5728476E-03 0 40 7 0 0.1822220E-02 0 46 7 1 0.5728478E-03 0 51 7 2 0.3053367E-03 0 56 7 3 0.5437519E-04 0 60 7 4 0.4973574E-05 0 64 7 5 0.1203592E-05 0 67 7 6 0.4668324E-06 0 70 7 7 0.1818777E-06 0 3 9 -9 0.1558434E-08 0 5 9 -8 0.2169880E-08 0 8 9 -7 0.8360387E-08 0 11 9 -6 0.2613097E-07 0 15 9 -5 0.2247493E-07 0 19 9 -4 0.5912103E-07 0 24 9 -3 0.4100155E-06 0 29 9 -2 0.3323786E-05 0 35 9 -1 0.1357796E-04 0 41 9 0 0.3900664E-04 0 47 9 1 0.1357796E-04 0 52 9 2 0.3323783E-05 0 57 9 3 0.4100216E-06 0 61 9 4 0.5911847E-07 0 65 9 5 0.2247429E-07 0 68 9 6 0.2613202E-07 0 71 9 7 0.8361244E-08 0 73 9 8 0.2170119E-08 0 75 9 9 0.1555868E-08 0 1 11 -11 0.0000000E+00 0 2 11 -10 0.0000000E+00 0 4 11 -9 0.0000000E+00 0 6 11 -8 0.0000000E+00 0 9 11 -7 0.0000000E+00 0 12 11 -6 0.0000000E+00 0 16 11 -5 0.0000000E+00 0 20 11 -4 0.0000000E+00 0 25 11 -3 0.0000000E+00 0 30 11 -2 0.0000000E+00 0 36 11 -1 0.0000000E+00 0 42 11 0 0.0000000E+00 0 48 11 1 0.0000000E+00 0 53 11 2 0.0000000E+00 0 58 11 3 0.0000000E+00 0 62 11 4 0.0000000E+00 0 66 11 5 0.0000000E+00 0 69 11 6 0.0000000E+00 0 72 11 7 0.0000000E+00 0 74 11 8 0.0000000E+00 0 76 11 9 0.0000000E+00 0 77 11 10 0.0000000E+00 0 78 11 11 0.0000000E+00 1 31 1 -1 0.1045389E+00 1 37 1 0 0.4360462E+00 1 43 1 1 0.1045389E+00 1 21 3 -3 0.1564381E-02 1 26 3 -2 0.8479011E-02 1 32 3 -1 0.7051074E-01 1 38 3 0 0.1349790E+00 1 44 3 1 0.7051073E-01 1 49 3 2 0.8479014E-02 1 54 3 3 0.1564378E-02 1 13 5 -5 0.2423588E-06 1 17 5 -4 0.6483938E-06 1 22 5 -3 0.9321910E-05 1 27 5 -2 0.2661048E-03 1 33 5 -1 0.2881274E-02 1 39 5 0 0.5454887E-02 1 45 5 1 0.2881274E-02 1 50 5 2 0.2661047E-03 1 55 5 3 0.9321979E-05 1 59 5 4 0.6483968E-06 1 63 5 5 0.2423568E-06 1 7 7 -7 0.0000000E+00 1 10 7 -6 0.0000000E+00 1 14 7 -5 0.0000000E+00 1 18 7 -4 0.0000000E+00 1 23 7 -3 0.0000000E+00 1 28 7 -2 0.0000000E+00 1 34 7 -1 0.0000000E+00 1 40 7 0 0.0000000E+00 1 46 7 1 0.0000000E+00 1 51 7 2 0.0000000E+00 1 56 7 3 0.0000000E+00 1 60 7 4 0.0000000E+00 1 64 7 5 0.0000000E+00 1 67 7 6 0.0000000E+00 1 70 7 7 0.0000000E+00 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.0000000E+00 2 37 1 0 0.0000000E+00 2 43 1 1 0.0000000E+00 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.3042308E-12 1 0.1095995E-02 2 0.1602861E-02 3 0.7081335E-03 4 0.1585185E-03 5 0.4575422E-05 6 0.6514947E-06 7 0.2751239E-06 8 0.1531017E-07 9 0.4308532E-08 v, j, mj = 0 1 0 0 0.6870778E-03 1 0.2001077E-02 2 0.9984188E-03 3 0.6229763E-03 4 0.3639827E-03 5 0.4770458E-04 6 0.1009580E-05 7 0.3193579E-07 8 0.4613641E-08 9 0.4183879E-09 v, j, mj = 0 1 1 0 0.3619407E-12 1 0.1095993E-02 2 0.1602862E-02 3 0.7081333E-03 4 0.1585175E-03 5 0.4575386E-05 6 0.6514915E-06 7 0.2751244E-06 8 0.1531086E-07 9 0.4308393E-08 v, j, mj = 0 3 -3 0 0.1419972E-06 1 0.1119396E-05 2 0.4557212E-04 3 0.8499704E-04 4 0.6556111E-04 5 0.2291407E-04 6 0.1814645E-05 7 0.1317817E-06 8 0.4012658E-07 9 0.1229899E-08 v, j, mj = 0 3 -2 0 0.6579163E-11 1 0.5424705E-04 2 0.4448235E-03 3 0.4128706E-03 4 0.2840491E-03 5 0.4960477E-04 6 0.2595239E-05 7 0.3337813E-07 8 0.6133435E-08 9 0.7357393E-09 v, j, mj = 0 3 -1 0 0.3012283E-12 1 0.4642916E-03 2 0.1483776E-02 3 0.7793530E-03 4 0.3010540E-03 5 0.5520993E-04 6 0.1789193E-05 7 0.6060152E-07 8 0.4119990E-08 9 0.6459056E-09 v, j, mj = 0 3 0 0 0.2133770E-02 1 0.4083077E-02 2 0.3574194E-03 3 0.1415492E-03 4 0.2361960E-03 5 0.8057133E-04 6 0.3901586E-05 7 0.8170709E-07 8 0.6729554E-08 9 0.8783389E-09 v, j, mj = 0 3 1 0 0.4110304E-12 1 0.4642903E-03 2 0.1483774E-02 3 0.7793530E-03 4 0.3010536E-03 5 0.5520987E-04 6 0.1789203E-05 7 0.6058319E-07 8 0.4118945E-08 9 0.6458942E-09 v, j, mj = 0 3 2 0 0.6874572E-11 1 0.5424677E-04 2 0.4448246E-03 3 0.4128714E-03 4 0.2840483E-03 5 0.4960469E-04 6 0.2595274E-05 7 0.3338169E-07 8 0.6132993E-08 9 0.7356979E-09 v, j, mj = 0 3 3 0 0.1418578E-06 1 0.1118644E-05 2 0.4557106E-04 3 0.8499561E-04 4 0.6556096E-04 5 0.2291420E-04 6 0.1814615E-05 7 0.1317925E-06 8 0.4012773E-07 9 0.1229943E-08 v, j, mj = 0 5 -5 0 0.6575980E-12 1 0.9503675E-07 2 0.2487795E-06 3 0.1511949E-05 4 0.2033031E-05 5 0.1394791E-05 6 0.5180610E-06 7 0.3100379E-07 8 0.3252471E-08 9 0.1140473E-08 v, j, mj = 0 5 -4 0 0.2359516E-11 1 0.5826732E-07 2 0.5740781E-06 3 0.3070880E-05 4 0.3106854E-05 5 0.8642233E-06 6 0.3972202E-07 7 0.1028963E-07 8 0.2366156E-08 9 0.2079362E-08 v, j, mj = 0 5 -3 0 0.1922880E-07 1 0.5327615E-05 2 0.2206854E-04 3 0.1431210E-04 4 0.8077517E-05 5 0.4032834E-05 6 0.4380590E-06 7 0.1609621E-07 8 0.2334371E-08 9 0.7834402E-09 v, j, mj = 0 5 -2 0 0.1380982E-11 1 0.1209484E-03 2 0.2264613E-03 3 0.1541432E-03 4 0.9848850E-04 5 0.2227398E-04 6 0.1157278E-05 7 0.1382951E-07 8 0.1084693E-08 9 0.1373764E-08 v, j, mj = 0 5 -1 0 0.1306304E-14 1 0.2773296E-03 2 0.4082713E-03 3 0.3377590E-03 4 0.1582621E-03 5 0.3234542E-04 6 0.1663817E-05 7 0.1941825E-07 8 0.2779412E-08 9 0.7081597E-09 v, j, mj = 0 5 0 0 0.7796866E-03 1 0.3002407E-02 2 0.2199090E-02 3 0.5554592E-03 4 0.4862254E-04 5 0.2479666E-04 6 0.1675141E-05 7 0.2306130E-07 8 0.9390609E-09 9 0.1320966E-08 v, j, mj = 0 5 1 0 0.1076303E-12 1 0.2773300E-03 2 0.4082710E-03 3 0.3377588E-03 4 0.1582621E-03 5 0.3234538E-04 6 0.1663815E-05 7 0.1941740E-07 8 0.2779494E-08 9 0.7081630E-09 v, j, mj = 0 5 2 0 0.1363451E-11 1 0.1209483E-03 2 0.2264607E-03 3 0.1541431E-03 4 0.9848835E-04 5 0.2227398E-04 6 0.1157274E-05 7 0.1382854E-07 8 0.1084616E-08 9 0.1373755E-08 v, j, mj = 0 5 3 0 0.1911585E-07 1 0.5327520E-05 2 0.2206874E-04 3 0.1431208E-04 4 0.8077568E-05 5 0.4032832E-05 6 0.4380563E-06 7 0.1609707E-07 8 0.2334427E-08 9 0.7834456E-09 v, j, mj = 0 5 4 0 0.2300903E-11 1 0.5843105E-07 2 0.5741937E-06 3 0.3070844E-05 4 0.3106847E-05 5 0.8641598E-06 6 0.3971572E-07 7 0.1028788E-07 8 0.2366132E-08 9 0.2079366E-08 v, j, mj = 0 5 5 0 0.1257445E-11 1 0.9496611E-07 2 0.2487308E-06 3 0.1511976E-05 4 0.2032987E-05 5 0.1394759E-05 6 0.5180599E-06 7 0.3100140E-07 8 0.3252487E-08 9 0.1140455E-08 v, j, mj = 0 7 -7 0 0.1614638E-13 1 0.3860596E-07 2 0.5206513E-07 3 0.5761462E-07 4 0.1648244E-07 5 0.9048173E-08 6 0.5135347E-08 7 0.1659770E-08 8 0.1107281E-08 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1556921E-07 1 0.3507591E-07 2 0.4392609E-07 3 0.1883269E-06 4 0.1348071E-06 5 0.4152759E-07 6 0.3753607E-08 7 0.2783237E-08 8 0.1053293E-08 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2217261E-14 1 0.5634772E-07 2 0.3689701E-06 3 0.3777704E-06 4 0.3275430E-06 5 0.5330800E-07 6 0.1084840E-07 7 0.5608036E-08 8 0.3207075E-08 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.7086263E-13 1 0.3517460E-06 2 0.2381338E-05 3 0.1867975E-05 4 0.3103460E-06 5 0.4876360E-07 6 0.5238724E-08 7 0.3097924E-08 8 0.5025023E-08 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1319559E-07 1 0.2308052E-05 2 0.4863082E-04 3 0.2678918E-05 4 0.5805556E-06 5 0.1466932E-06 6 0.9174079E-08 7 0.3800755E-08 8 0.3816878E-08 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2481003E-12 1 0.1080953E-03 2 0.1785264E-03 3 0.1293131E-04 4 0.5200273E-05 5 0.5690029E-06 6 0.8672793E-08 7 0.4240565E-08 8 0.1943407E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3740225E-13 1 0.3889111E-03 2 0.1476383E-03 3 0.2621673E-04 4 0.9367545E-05 5 0.6943017E-06 6 0.1207502E-07 7 0.4002687E-08 8 0.3512381E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1545534E-03 1 0.8987078E-03 2 0.6326302E-03 3 0.1255405E-03 4 0.9934473E-05 5 0.8303978E-06 6 0.1838450E-07 7 0.3330166E-08 8 0.1535372E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5765174E-14 1 0.3889112E-03 2 0.1476384E-03 3 0.2621673E-04 4 0.9367544E-05 5 0.6943051E-06 6 0.1207411E-07 7 0.4002712E-08 8 0.3512391E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2476404E-12 1 0.1080952E-03 2 0.1785262E-03 3 0.1293131E-04 4 0.5200267E-05 5 0.5690018E-06 6 0.8671387E-08 7 0.4240623E-08 8 0.1943394E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1319720E-07 1 0.2308050E-05 2 0.4863092E-04 3 0.2678952E-05 4 0.5805966E-06 5 0.1466892E-06 6 0.9174453E-08 7 0.3800716E-08 8 0.3816868E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.6490872E-13 1 0.3518018E-06 2 0.2381342E-05 3 0.1867963E-05 4 0.3103352E-06 5 0.4876913E-07 6 0.5239102E-08 7 0.3097928E-08 8 0.5025027E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3471369E-13 1 0.5635449E-07 2 0.3689504E-06 3 0.3777879E-06 4 0.3275359E-06 5 0.5330096E-07 6 0.1084721E-07 7 0.5608058E-08 8 0.3207067E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1556334E-07 1 0.3506343E-07 2 0.4391299E-07 3 0.1883610E-06 4 0.1348119E-06 5 0.4152911E-07 6 0.3754062E-08 7 0.2783223E-08 8 0.1053298E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.7781154E-13 1 0.3862808E-07 2 0.5208948E-07 3 0.5762093E-07 4 0.1657287E-07 5 0.9063165E-08 6 0.5136121E-08 7 0.1659668E-08 8 0.1107273E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3788553E-10 1 0.8351913E-10 2 0.4060477E-09 3 0.4702142E-09 4 0.2000193E-09 5 0.2735811E-09 6 0.8716660E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.3869294E-15 1 0.1224770E-09 2 0.4714051E-09 3 0.2052947E-09 4 0.2586415E-09 5 0.8883513E-09 6 0.2237098E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.4414789E-15 1 0.1494053E-08 2 0.2561451E-08 3 0.2998653E-09 4 0.1130056E-08 5 0.2768356E-08 6 0.1066050E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4897928E-08 1 0.3041691E-08 2 0.1340387E-08 3 0.1193931E-08 4 0.2112055E-08 5 0.1222996E-07 6 0.1315015E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.7694214E-15 1 0.5188915E-08 2 0.5873220E-08 3 0.1042234E-08 4 0.1752746E-08 5 0.7987721E-08 6 0.6300966E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1894023E-15 1 0.4898060E-08 2 0.3027994E-07 3 0.1115195E-07 4 0.2791914E-08 5 0.7953550E-08 6 0.2045619E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3443626E-10 1 0.7324556E-07 2 0.2281045E-06 3 0.9964870E-07 4 0.5305792E-08 5 0.3199111E-08 6 0.4774550E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1242338E-14 1 0.9810511E-06 2 0.2019611E-05 3 0.2774522E-06 4 0.3226799E-07 5 0.1204641E-07 6 0.1356485E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1060260E-14 1 0.6675558E-05 2 0.6185000E-05 3 0.6827989E-06 4 0.2978335E-07 5 0.4216255E-08 6 0.6022774E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.4744564E-05 1 0.2188562E-04 2 0.1179994E-04 3 0.5199844E-06 4 0.4516864E-07 5 0.1066073E-07 6 0.7011493E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.9040130E-15 1 0.6675559E-05 2 0.6185002E-05 3 0.6827982E-06 4 0.2978298E-07 5 0.4216235E-08 6 0.6022783E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1483537E-14 1 0.9810488E-06 2 0.2019611E-05 3 0.2774521E-06 4 0.3226797E-07 5 0.1204642E-07 6 0.1356485E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3559732E-10 1 0.7324782E-07 2 0.2281078E-06 3 0.9964854E-07 4 0.5305433E-08 5 0.3199040E-08 6 0.4774512E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3172441E-16 1 0.4894011E-08 2 0.3028064E-07 3 0.1115247E-07 4 0.2792206E-08 5 0.7953543E-08 6 0.2045606E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1030412E-14 1 0.5190689E-08 2 0.5871685E-08 3 0.1041464E-08 4 0.1752665E-08 5 0.7987691E-08 6 0.6300994E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.4898166E-08 1 0.3041609E-08 2 0.1341457E-08 3 0.1193777E-08 4 0.2112043E-08 5 0.1222996E-07 6 0.1315017E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3460405E-15 1 0.1494473E-08 2 0.2561676E-08 3 0.2999735E-09 4 0.1130162E-08 5 0.2768350E-08 6 0.1066094E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1115727E-16 1 0.1223537E-09 2 0.4718877E-09 3 0.2051493E-09 4 0.2586403E-09 5 0.8883688E-09 6 0.2237189E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3702451E-10 1 0.8175911E-10 2 0.4060163E-09 3 0.4703150E-09 4 0.1999939E-09 5 0.2735898E-09 6 0.8716928E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1281650E-13 1 0.9605905E-02 2 0.2690441E-01 3 0.3080573E-01 4 0.3536762E-01 5 0.1849058E-02 6 0.6171852E-05 7 0.1343376E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.8215046E-01 1 0.2598858E+00 2 0.8811981E-01 3 0.4661752E-02 4 0.1196701E-02 5 0.2983891E-04 6 0.1786369E-05 7 0.6084686E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2272515E-13 1 0.9605904E-02 2 0.2690441E-01 3 0.3080574E-01 4 0.3536761E-01 5 0.1849058E-02 6 0.6171852E-05 7 0.1343389E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.5494124E-06 1 0.1697563E-03 2 0.9232987E-03 3 0.4290325E-03 4 0.4110550E-04 5 0.5955969E-06 6 0.4283998E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.4855005E-12 1 0.6960024E-02 2 0.1063779E-02 3 0.4221243E-03 4 0.3220379E-04 5 0.8452380E-06 6 0.3449491E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2285319E-14 1 0.5195820E-01 2 0.8756141E-02 3 0.6617727E-02 4 0.3109565E-02 5 0.6895444E-04 6 0.1486383E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5928777E-01 1 0.3571316E-01 2 0.3715599E-01 3 0.2453319E-02 4 0.3599592E-03 5 0.8749499E-05 6 0.7057764E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2328270E-13 1 0.5195820E-01 2 0.8756140E-02 3 0.6617727E-02 4 0.3109564E-02 5 0.6895444E-04 6 0.1486381E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.4194504E-12 1 0.6960025E-02 2 0.1063781E-02 3 0.4221247E-03 4 0.3220375E-04 5 0.8452381E-06 6 0.3449502E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.5485933E-06 1 0.1697577E-03 2 0.9232972E-03 3 0.4290308E-03 4 0.4110548E-04 5 0.5955969E-06 6 0.4283982E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4040082E-15 1 0.3539866E-07 2 0.6652461E-07 3 0.6816961E-07 4 0.7226596E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2298934E-15 1 0.3304993E-07 2 0.3660255E-06 3 0.1935378E-06 4 0.5578058E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.8659627E-07 1 0.3120958E-05 2 0.5673009E-05 3 0.3037225E-06 4 0.1376244E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.8332699E-14 1 0.1635168E-03 2 0.9715123E-04 3 0.5355896E-05 4 0.8081914E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.4174700E-15 1 0.2466207E-02 2 0.4100347E-03 3 0.3659835E-05 4 0.1372460E-05 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.2843392E-02 1 0.2505772E-02 2 0.1016852E-03 3 0.3862575E-05 4 0.1749333E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1284655E-14 1 0.2466207E-02 2 0.4100347E-03 3 0.3659829E-05 4 0.1372460E-05 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.8882810E-14 1 0.1635167E-03 2 0.9715126E-04 3 0.5355899E-05 4 0.8081915E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.8660737E-07 1 0.3121020E-05 2 0.5673007E-05 3 0.3037204E-06 4 0.1376242E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1060920E-15 1 0.3305353E-07 2 0.3660245E-06 3 0.1935379E-06 4 0.5578092E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.5250155E-15 1 0.3539788E-07 2 0.6652415E-07 3 0.6816902E-07 4 0.7226575E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9951950 average vibrational energy (ev) = 0.487821 average rotational energy (ev) = 0.042825 average diffraction energy (ev) = 0.024892 the reaction probability = 0.4805000D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39848223D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9240296E-01 0.2630871E-01 0.1234986E+00 1 0.8817187E+00 0.3087131E-01 0.5085208E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.9357903E-02 0 37 1 0 0.1121328E-01 0 43 1 1 0.9357892E-02 0 21 3 -3 0.3264569E-03 0 26 3 -2 0.1821338E-02 0 32 3 -1 0.2819871E-02 0 38 3 0 0.1874203E-01 0 44 3 1 0.2819865E-02 0 49 3 2 0.1821336E-02 0 54 3 3 0.3264496E-03 0 13 5 -5 0.2176671E-04 0 17 5 -4 0.4025847E-04 0 22 5 -3 0.2096656E-03 0 27 5 -2 0.1036887E-02 0 33 5 -1 0.2564313E-02 0 39 5 0 0.1908805E-01 0 45 5 1 0.2564316E-02 0 50 5 2 0.1036884E-02 0 55 5 3 0.2096660E-03 0 59 5 4 0.4025852E-04 0 63 5 5 0.2176553E-04 0 7 7 -7 0.7236273E-06 0 10 7 -6 0.1162203E-05 0 14 7 -5 0.4817551E-05 0 18 7 -4 0.2679813E-04 0 23 7 -3 0.1488671E-03 0 28 7 -2 0.5132072E-03 0 34 7 -1 0.1438392E-02 0 40 7 0 0.2280176E-02 0 46 7 1 0.1438393E-02 0 51 7 2 0.5132069E-03 0 56 7 3 0.1488673E-03 0 60 7 4 0.2679812E-04 0 64 7 5 0.4817508E-05 0 67 7 6 0.1162227E-05 0 70 7 7 0.7237551E-06 0 3 9 -9 0.2063362E-08 0 5 9 -8 0.6210243E-08 0 8 9 -7 0.1453810E-07 0 11 9 -6 0.6103547E-07 0 15 9 -5 0.5250889E-07 0 19 9 -4 0.4648400E-06 0 24 9 -3 0.6784200E-05 0 29 9 -2 0.4022720E-04 0 35 9 -1 0.1156250E-03 0 41 9 0 0.8810654E-04 0 47 9 1 0.1156250E-03 0 52 9 2 0.4022719E-04 0 57 9 3 0.6784221E-05 0 61 9 4 0.4648642E-06 0 65 9 5 0.5249416E-07 0 68 9 6 0.6102582E-07 0 71 9 7 0.1454625E-07 0 73 9 8 0.6209362E-08 0 75 9 9 0.2063510E-08 0 1 11 -11 0.3462093E-12 0 2 11 -10 0.6184603E-11 0 4 11 -9 0.1401354E-10 0 6 11 -8 0.2468030E-10 0 9 11 -7 0.1700176E-09 0 12 11 -6 0.9829157E-09 0 16 11 -5 0.2060143E-09 0 20 11 -4 0.1948469E-09 0 25 11 -3 0.5580209E-09 0 30 11 -2 0.5991717E-09 0 36 11 -1 0.2526803E-08 0 42 11 0 0.3073446E-08 0 48 11 1 0.2526775E-08 0 53 11 2 0.5991810E-09 0 58 11 3 0.5580228E-09 0 62 11 4 0.1948547E-09 0 66 11 5 0.2060063E-09 0 69 11 6 0.9828842E-09 0 72 11 7 0.1700068E-09 0 74 11 8 0.2468186E-10 0 76 11 9 0.1401237E-10 0 77 11 10 0.6184901E-11 0 78 11 11 0.3463451E-12 1 31 1 -1 0.7253012E-01 1 37 1 0 0.3549786E+00 1 43 1 1 0.7253010E-01 1 21 3 -3 0.2297135E-02 1 26 3 -2 0.1802780E-01 1 32 3 -1 0.6298210E-01 1 38 3 0 0.1778117E+00 1 44 3 1 0.6298210E-01 1 49 3 2 0.1802779E-01 1 54 3 3 0.2297134E-02 1 13 5 -5 0.1838637E-05 1 17 5 -4 0.3491529E-05 1 22 5 -3 0.1212058E-03 1 27 5 -2 0.2405153E-02 1 33 5 -1 0.9170295E-02 1 39 5 0 0.1384669E-01 1 45 5 1 0.9170295E-02 1 50 5 2 0.2405152E-02 1 55 5 3 0.1212062E-03 1 59 5 4 0.3492002E-05 1 63 5 5 0.1838549E-05 1 7 7 -7 0.4919446E-09 1 10 7 -6 0.2585512E-07 1 14 7 -5 0.5532538E-08 1 18 7 -4 0.1002102E-07 1 23 7 -3 0.7726287E-08 1 28 7 -2 0.3430346E-07 1 34 7 -1 0.4219712E-06 1 40 7 0 0.2497177E-05 1 46 7 1 0.4219716E-06 1 51 7 2 0.3430434E-07 1 56 7 3 0.7726633E-08 1 60 7 4 0.1002075E-07 1 64 7 5 0.5532551E-08 1 67 7 6 0.2585530E-07 1 70 7 7 0.4919450E-09 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.0000000E+00 2 37 1 0 0.0000000E+00 2 43 1 1 0.0000000E+00 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2133569E-10 1 0.3676197E-02 2 0.4086176E-02 3 0.1035273E-02 4 0.4674020E-03 5 0.8657796E-04 6 0.3147841E-05 7 0.2729112E-05 8 0.3896619E-06 9 0.9192435E-08 v, j, mj = 0 1 0 0 0.2748602E-02 1 0.5723137E-02 2 0.1359389E-02 3 0.3696935E-03 4 0.6950585E-03 5 0.2910999E-03 6 0.2598427E-04 7 0.2956511E-06 8 0.2010003E-07 9 0.2363647E-08 v, j, mj = 0 1 1 0 0.3123162E-10 1 0.3676199E-02 2 0.4086174E-02 3 0.1035272E-02 4 0.4673948E-03 5 0.8657677E-04 6 0.3147818E-05 7 0.2729078E-05 8 0.3896551E-06 9 0.9193286E-08 v, j, mj = 0 3 -3 0 0.2388371E-06 1 0.3261143E-05 2 0.2679900E-04 3 0.3972470E-04 4 0.1413605E-03 5 0.8593882E-04 6 0.2646198E-04 7 0.2399928E-05 8 0.2631247E-06 9 0.8864074E-08 v, j, mj = 0 3 -2 0 0.3580976E-10 1 0.7922801E-04 2 0.8251772E-03 3 0.3354807E-03 4 0.3678944E-03 5 0.1903345E-03 6 0.2211575E-04 7 0.1089298E-05 8 0.1541427E-07 9 0.2497934E-08 v, j, mj = 0 3 -1 0 0.1208269E-10 1 0.2738995E-03 2 0.9942336E-03 3 0.8333386E-03 4 0.5162963E-03 5 0.1831578E-03 6 0.1868391E-04 7 0.2238120E-06 8 0.3342831E-07 9 0.3690713E-08 v, j, mj = 0 3 0 0 0.6176179E-02 1 0.1014263E-01 2 0.1490322E-02 3 0.4822215E-03 4 0.2162295E-03 5 0.1959693E-03 6 0.3758490E-04 7 0.8913799E-06 8 0.4010303E-08 9 0.1240282E-08 v, j, mj = 0 3 1 0 0.9651830E-11 1 0.2738992E-03 2 0.9942303E-03 3 0.8333380E-03 4 0.5162953E-03 5 0.1831571E-03 6 0.1868397E-04 7 0.2238041E-06 8 0.3342700E-07 9 0.3690726E-08 v, j, mj = 0 3 2 0 0.3241165E-10 1 0.7922669E-04 2 0.8251766E-03 3 0.3354824E-03 4 0.3678924E-03 5 0.1903342E-03 6 0.2211595E-04 7 0.1089313E-05 8 0.1541465E-07 9 0.2497880E-08 v, j, mj = 0 3 3 0 0.2374492E-06 1 0.3258584E-05 2 0.2679814E-04 3 0.3972292E-04 4 0.1413591E-03 5 0.8593923E-04 6 0.2646212E-04 7 0.2399969E-05 8 0.2631271E-06 9 0.8864076E-08 v, j, mj = 0 5 -5 0 0.1908778E-11 1 0.2638800E-06 2 0.4041898E-05 3 0.4764817E-05 4 0.3478678E-05 5 0.5657742E-05 6 0.3066175E-05 7 0.4806091E-06 8 0.1210308E-07 9 0.8074500E-09 v, j, mj = 0 5 -4 0 0.3876989E-11 1 0.3953720E-06 2 0.1820236E-04 3 0.6788997E-05 4 0.1106333E-04 5 0.3242541E-05 6 0.5371538E-06 7 0.2257706E-07 8 0.4728505E-08 9 0.1398200E-08 v, j, mj = 0 5 -3 0 0.6132800E-07 1 0.4045208E-04 2 0.6124518E-04 3 0.7410869E-04 4 0.2695314E-04 5 0.4384417E-05 6 0.2269993E-05 7 0.1823576E-06 8 0.6905650E-08 9 0.1514948E-08 v, j, mj = 0 5 -2 0 0.1150784E-11 1 0.2110232E-03 2 0.3583607E-03 3 0.3096956E-03 4 0.1051564E-03 5 0.4514153E-04 6 0.7296373E-05 7 0.2089074E-06 8 0.2692445E-08 9 0.1096674E-08 v, j, mj = 0 5 -1 0 0.2962628E-12 1 0.1546859E-02 2 0.6942914E-03 3 0.8543556E-04 4 0.1593787E-03 5 0.6921995E-04 6 0.8916890E-05 7 0.2076068E-06 8 0.3416639E-08 9 0.9597413E-09 v, j, mj = 0 5 0 0 0.2680692E-02 1 0.9264593E-02 2 0.5179205E-02 3 0.1627546E-02 4 0.2917802E-03 5 0.3356867E-04 6 0.1042096E-04 7 0.2394140E-06 8 0.1734993E-08 9 0.9291668E-09 v, j, mj = 0 5 1 0 0.3361248E-12 1 0.1546860E-02 2 0.6942928E-03 3 0.8543586E-04 4 0.1593785E-03 5 0.6921988E-04 6 0.8916884E-05 7 0.2075921E-06 8 0.3417098E-08 9 0.9597617E-09 v, j, mj = 0 5 2 0 0.8756708E-12 1 0.2110229E-03 2 0.3583590E-03 3 0.3096953E-03 4 0.1051562E-03 5 0.4514148E-04 6 0.7296370E-05 7 0.2089064E-06 8 0.2692768E-08 9 0.1096649E-08 v, j, mj = 0 5 3 0 0.6158502E-07 1 0.4045158E-04 2 0.6124588E-04 3 0.7410868E-04 4 0.2695313E-04 5 0.4384385E-05 6 0.2269975E-05 7 0.1823505E-06 8 0.6905558E-08 9 0.1514943E-08 v, j, mj = 0 5 4 0 0.4370650E-11 1 0.3944308E-06 2 0.1820354E-04 3 0.6789008E-05 4 0.1106332E-04 5 0.3242386E-05 6 0.5371371E-06 7 0.2257012E-07 8 0.4728561E-08 9 0.1398227E-08 v, j, mj = 0 5 5 0 0.1871998E-11 1 0.2640557E-06 2 0.4041396E-05 3 0.4764220E-05 4 0.3478798E-05 5 0.5657421E-05 6 0.3066122E-05 7 0.4806025E-06 8 0.1210183E-07 9 0.8074633E-09 v, j, mj = 0 7 -7 0 0.4989097E-12 1 0.2407575E-08 2 0.6883084E-07 3 0.1824275E-06 4 0.2727773E-06 5 0.1648736E-06 6 0.2968190E-07 7 0.1593368E-08 8 0.9995581E-09 9 0.3514904E-10 v, j, mj = 0 7 -6 0 0.4235936E-07 1 0.2445992E-08 2 0.4665937E-07 3 0.4656628E-06 4 0.3630846E-06 5 0.2165867E-06 6 0.1992650E-07 7 0.2451330E-08 8 0.2981396E-08 9 0.4454400E-10 v, j, mj = 0 7 -5 0 0.3950940E-12 1 0.4570423E-07 2 0.2006288E-05 3 0.1896951E-05 4 0.6560360E-06 5 0.1959588E-06 6 0.8741873E-08 7 0.6254826E-08 8 0.1405197E-08 9 0.2100544E-09 v, j, mj = 0 7 -4 0 0.1824634E-13 1 0.1287406E-05 2 0.1705727E-04 3 0.6921821E-05 4 0.1120959E-05 5 0.3697253E-06 6 0.3498025E-07 7 0.3987046E-08 8 0.1395049E-08 9 0.5922362E-09 v, j, mj = 0 7 -3 0 0.9813272E-07 1 0.1763215E-04 2 0.1129819E-03 3 0.1389400E-04 4 0.3799921E-05 5 0.3992119E-06 6 0.5442044E-07 7 0.5149549E-08 8 0.1361572E-08 9 0.7920339E-09 v, j, mj = 0 7 -2 0 0.9608069E-12 1 0.2564255E-03 2 0.2015491E-03 3 0.4263550E-04 4 0.1036608E-04 5 0.2068190E-05 6 0.1572529E-06 7 0.3622349E-08 8 0.1959563E-08 9 0.6606520E-10 v, j, mj = 0 7 -1 0 0.1331236E-12 1 0.1061366E-02 2 0.3235735E-03 3 0.3708765E-04 4 0.1244475E-04 5 0.3667194E-05 6 0.2473789E-06 7 0.4060793E-08 8 0.1038426E-08 9 0.1227497E-08 v, j, mj = 0 7 0 0 0.3693407E-03 1 0.1321849E-02 2 0.1766089E-03 3 0.3361444E-03 4 0.7182843E-04 5 0.4085103E-05 6 0.3109025E-06 7 0.6542560E-08 8 0.2300892E-08 9 0.4428076E-10 v, j, mj = 0 7 1 0 0.2389771E-13 1 0.1061366E-02 2 0.3235739E-03 3 0.3708772E-04 4 0.1244475E-04 5 0.3667192E-05 6 0.2473788E-06 7 0.4060893E-08 8 0.1038427E-08 9 0.1227496E-08 v, j, mj = 0 7 2 0 0.1024190E-11 1 0.2564253E-03 2 0.2015488E-03 3 0.4263550E-04 4 0.1036609E-04 5 0.2068207E-05 6 0.1572509E-06 7 0.3622231E-08 8 0.1959558E-08 9 0.6606846E-10 v, j, mj = 0 7 3 0 0.9821655E-07 1 0.1763221E-04 2 0.1129819E-03 3 0.1389411E-04 4 0.3799966E-05 5 0.3991972E-06 6 0.5442026E-07 7 0.5149634E-08 8 0.1361558E-08 9 0.7920335E-09 v, j, mj = 0 7 4 0 0.1998124E-13 1 0.1287400E-05 2 0.1705736E-04 3 0.6921845E-05 4 0.1120827E-05 5 0.3697297E-06 6 0.3498427E-07 7 0.3986879E-08 8 0.1395044E-08 9 0.5922309E-09 v, j, mj = 0 7 5 0 0.5949564E-13 1 0.4574763E-07 2 0.2006303E-05 3 0.1896912E-05 4 0.6560203E-06 5 0.1959154E-06 6 0.8739742E-08 7 0.6254706E-08 8 0.1405180E-08 9 0.2100508E-09 v, j, mj = 0 7 6 0 0.4236971E-07 1 0.2450197E-08 2 0.4666074E-07 3 0.4656719E-06 4 0.3630760E-06 5 0.2165921E-06 6 0.1992882E-07 7 0.2451559E-08 8 0.2981403E-08 9 0.4454350E-10 v, j, mj = 0 7 7 0 0.4690404E-12 1 0.2415942E-08 2 0.6885147E-07 3 0.1824840E-06 4 0.2727805E-06 5 0.1649040E-06 6 0.2969080E-07 7 0.1593144E-08 8 0.9995560E-09 9 0.3514970E-10 v, j, mj = 0 9 -9 0 0.1688993E-10 1 0.9725665E-10 2 0.4729919E-09 3 0.7613023E-09 4 0.1845025E-09 5 0.3204728E-09 6 0.2099457E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2823101E-14 1 0.7375190E-09 2 0.3365461E-08 3 0.1120287E-08 4 0.3519020E-09 5 0.2918822E-09 6 0.3431900E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.6335883E-14 1 0.6868354E-08 2 0.3208481E-08 3 0.1046305E-08 4 0.7241694E-09 5 0.1444119E-08 6 0.1246660E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1892285E-07 1 0.2468702E-07 2 0.2756621E-08 3 0.3064233E-08 4 0.3484789E-08 5 0.4738867E-08 6 0.3381093E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1912299E-14 1 0.1340322E-07 2 0.7926408E-08 3 0.1738142E-07 4 0.2618555E-08 5 0.6002923E-08 6 0.5176366E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1502922E-14 1 0.1679053E-07 2 0.1631398E-06 3 0.2662968E-06 4 0.1121715E-07 5 0.4472711E-08 6 0.2923077E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3600963E-08 1 0.1879379E-06 2 0.5256504E-05 3 0.1302092E-05 4 0.2053051E-07 5 0.7539949E-08 6 0.5994340E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.2355717E-13 1 0.1057168E-04 2 0.2785597E-04 3 0.1745203E-05 4 0.3086918E-07 5 0.1251044E-07 6 0.1097350E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9309834E-14 1 0.6496362E-04 2 0.4940970E-04 3 0.1180525E-05 4 0.5247867E-07 5 0.1082216E-07 6 0.7809836E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1379413E-04 1 0.4783207E-04 2 0.2612047E-04 3 0.2744708E-06 4 0.4813086E-07 5 0.2261525E-07 6 0.1465548E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.4721605E-14 1 0.6496361E-04 2 0.4940973E-04 3 0.1180523E-05 4 0.5247794E-07 5 0.1082218E-07 6 0.7809888E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2681057E-13 1 0.1057166E-04 2 0.2785598E-04 3 0.1745199E-05 4 0.3086908E-07 5 0.1251053E-07 6 0.1097348E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3626045E-08 1 0.1879330E-06 2 0.5256501E-05 3 0.1302097E-05 4 0.2053037E-07 5 0.7539728E-08 6 0.5994295E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1080171E-14 1 0.1680357E-07 2 0.1631412E-06 3 0.2663049E-06 4 0.1121849E-07 5 0.4473033E-08 6 0.2923028E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.4664448E-14 1 0.1340288E-07 2 0.7922008E-08 3 0.1737437E-07 4 0.2615679E-08 5 0.6002881E-08 6 0.5176342E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1892091E-07 1 0.2468301E-07 2 0.2761592E-08 3 0.3055653E-08 4 0.3484704E-08 5 0.4738852E-08 6 0.3381099E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.6337306E-14 1 0.6873149E-08 2 0.3210077E-08 3 0.1048225E-08 4 0.7238233E-09 5 0.1444289E-08 6 0.1246683E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3558144E-14 1 0.7376450E-09 2 0.3364411E-08 3 0.1120888E-08 4 0.3513987E-09 5 0.2918108E-09 6 0.3432042E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1455252E-10 1 0.9663445E-10 2 0.4763153E-09 3 0.7611120E-09 4 0.1845004E-09 5 0.3204472E-09 6 0.2099485E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.1067068E-17 1 0.2305005E-12 2 0.1157077E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -10 0 0.1245854E-16 1 0.5280488E-11 2 0.9041029E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -9 0 0.3864694E-12 1 0.7550048E-11 2 0.6077025E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -8 0 0.2409569E-16 1 0.1218191E-10 2 0.1249837E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -7 0 0.8002964E-17 1 0.1584870E-09 2 0.1153056E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -6 0 0.2678158E-09 1 0.7117154E-09 2 0.3384485E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -5 0 0.1700597E-17 1 0.1961524E-09 2 0.9861881E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -4 0 0.9364589E-17 1 0.1000339E-09 2 0.9481298E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -3 0 0.1101651E-09 1 0.3036838E-09 2 0.1441721E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -2 0 0.1126213E-16 1 0.4766314E-09 2 0.1225403E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -1 0 0.3454215E-17 1 0.2390826E-08 2 0.1359771E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 0 0 0.1600233E-08 1 0.1267686E-08 2 0.2055271E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 1 0 0.1519373E-17 1 0.2390803E-08 2 0.1359720E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 2 0 0.3917865E-17 1 0.4766437E-09 2 0.1225373E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 3 0 0.1101534E-09 1 0.3037044E-09 2 0.1441650E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 4 0 0.5417903E-17 1 0.1000448E-09 2 0.9480995E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 5 0 0.3913185E-17 1 0.1961450E-09 2 0.9861236E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 6 0 0.2678041E-09 1 0.7116961E-09 2 0.3384006E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 7 0 0.4144146E-17 1 0.1584763E-09 2 0.1153054E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 8 0 0.1786594E-16 1 0.1218365E-10 2 0.1249819E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 9 0 0.3860595E-12 1 0.7549437E-11 2 0.6076877E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 10 0 0.6358228E-17 1 0.5280479E-11 2 0.9044149E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 11 0 0.2334645E-17 1 0.2307050E-12 2 0.1156378E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.3491157E-11 1 0.3244150E-02 2 0.1806848E-01 3 0.1232803E-01 4 0.2813892E-01 5 0.1054864E-01 6 0.2017249E-03 7 0.1740092E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3101240E-01 1 0.1681045E+00 2 0.1327075E+00 3 0.1695096E-01 4 0.5941228E-02 5 0.2578446E-03 6 0.4133242E-05 7 0.4518805E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.5324322E-11 1 0.3244149E-02 2 0.1806847E-01 3 0.1232805E-01 4 0.2813890E-01 5 0.1054863E-01 6 0.2017249E-03 7 0.1740089E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1554700E-05 1 0.3881314E-03 2 0.1135770E-02 3 0.5858508E-03 4 0.1798489E-03 5 0.5940477E-05 6 0.3801176E-07 7 0.5475772E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.4536599E-11 1 0.1228720E-01 2 0.4058538E-02 3 0.1604379E-02 4 0.7331343E-04 5 0.4204811E-05 6 0.1585580E-06 7 0.1344939E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1048583E-11 1 0.3467636E-01 2 0.1836630E-01 3 0.3605921E-02 4 0.5412750E-02 5 0.9143803E-03 6 0.6380361E-05 7 0.1794471E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4798614E-01 1 0.4357362E-01 2 0.6599565E-01 3 0.1747935E-01 4 0.2663434E-02 5 0.1116253E-03 6 0.1907731E-05 7 0.3026855E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1059810E-11 1 0.3467637E-01 2 0.1836630E-01 3 0.3605922E-02 4 0.5412747E-02 5 0.9143798E-03 6 0.6380361E-05 7 0.1794448E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.3983573E-11 1 0.1228720E-01 2 0.4058533E-02 3 0.1604380E-02 4 0.7331327E-04 5 0.4204772E-05 6 0.1585577E-06 7 0.1344940E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1555007E-05 1 0.3881314E-03 2 0.1135773E-02 3 0.5858481E-03 4 0.1798481E-03 5 0.5940434E-05 6 0.3801187E-07 7 0.5475896E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.3469311E-13 1 0.3393913E-06 2 0.1133907E-05 3 0.2078955E-06 4 0.1028720E-06 5 0.5457091E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.1425604E-12 1 0.3644923E-06 2 0.2001026E-05 3 0.9473465E-06 4 0.1370317E-06 5 0.4163204E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3248352E-06 1 0.3252157E-04 2 0.7924549E-04 3 0.8671704E-05 4 0.3649809E-06 5 0.7717006E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.1806086E-12 1 0.1611513E-02 2 0.7744658E-03 3 0.1888715E-04 4 0.2358384E-06 5 0.5148040E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.9233996E-14 1 0.8714429E-02 2 0.4314283E-03 3 0.1583726E-04 4 0.8209459E-05 5 0.3912102E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.7643003E-02 1 0.3913068E-02 2 0.2083065E-02 3 0.2024692E-03 4 0.4971289E-05 5 0.1133250E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1130237E-13 1 0.8714429E-02 2 0.4314283E-03 3 0.1583729E-04 4 0.8209452E-05 5 0.3912102E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1666913E-12 1 0.1611512E-02 2 0.7744656E-03 3 0.1888715E-04 4 0.2358304E-06 5 0.5147979E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.3247246E-06 1 0.3252183E-04 2 0.7924576E-04 3 0.8671728E-05 4 0.3649788E-06 5 0.7717080E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1703259E-12 1 0.3647978E-06 2 0.2001181E-05 3 0.9473589E-06 4 0.1370316E-06 5 0.4163230E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.9272564E-13 1 0.3393788E-06 2 0.1133839E-05 3 0.2078896E-06 4 0.1028708E-06 5 0.5457122E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1110124E-16 1 0.4912139E-09 2 0.7306278E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -6 0 0.1399328E-07 1 0.1177584E-07 2 0.8600700E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -5 0 0.1675681E-16 1 0.5505793E-08 2 0.2674517E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.4536530E-17 1 0.1001474E-07 2 0.6280763E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -3 0 0.1644024E-08 1 0.6041475E-08 2 0.4078753E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -2 0 0.6100526E-16 1 0.3400749E-07 2 0.2959737E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.1667022E-16 1 0.4210149E-06 2 0.9563227E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 0 0 0.1694563E-05 1 0.8008059E-06 2 0.1808202E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.3532328E-16 1 0.4210153E-06 2 0.9563274E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.1133241E-15 1 0.3400837E-07 2 0.2959710E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 3 0 0.1644317E-08 1 0.6041529E-08 2 0.4078741E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.9454305E-16 1 0.1001447E-07 2 0.6280744E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.5590650E-17 1 0.5505806E-08 2 0.2674469E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 6 0 0.1399335E-07 1 0.1177594E-07 2 0.8600714E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 7 0 0.3738317E-17 1 0.4912142E-09 2 0.7307567E-12 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9741217 average vibrational energy (ev) = 0.461106 average rotational energy (ev) = 0.057743 average diffraction energy (ev) = 0.030439 the reaction probability = 0.2587831D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39276794D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1612777E+00 0.2114606E-01 0.1353381E+00 1 0.7707163E+00 0.3499612E-01 0.7680599E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.1178070E-01 0 37 1 0 0.2106167E-01 0 43 1 1 0.1178069E-01 0 21 3 -3 0.5190982E-03 0 26 3 -2 0.1946802E-02 0 32 3 -1 0.4255675E-02 0 38 3 0 0.3148319E-01 0 44 3 1 0.4255675E-02 0 49 3 2 0.1946793E-02 0 54 3 3 0.5191040E-03 0 13 5 -5 0.2133680E-03 0 17 5 -4 0.5442491E-03 0 22 5 -3 0.9060128E-03 0 27 5 -2 0.3025256E-02 0 33 5 -1 0.1457027E-01 0 39 5 0 0.2299474E-01 0 45 5 1 0.1457029E-01 0 50 5 2 0.3025251E-02 0 55 5 3 0.9060156E-03 0 59 5 4 0.5442482E-03 0 63 5 5 0.2133672E-03 0 7 7 -7 0.5988067E-05 0 10 7 -6 0.8786914E-05 0 14 7 -5 0.3734205E-04 0 18 7 -4 0.1234413E-03 0 23 7 -3 0.3872204E-03 0 28 7 -2 0.1009884E-02 0 34 7 -1 0.2288050E-02 0 40 7 0 0.1338952E-02 0 46 7 1 0.2288051E-02 0 51 7 2 0.1009885E-02 0 56 7 3 0.3872198E-03 0 60 7 4 0.1234415E-03 0 64 7 5 0.3734252E-04 0 67 7 6 0.8786765E-05 0 70 7 7 0.5988354E-05 0 3 9 -9 0.1186542E-07 0 5 9 -8 0.1933749E-07 0 8 9 -7 0.5848700E-07 0 11 9 -6 0.1808284E-06 0 15 9 -5 0.4495717E-06 0 19 9 -4 0.6325206E-05 0 24 9 -3 0.5151173E-04 0 29 9 -2 0.1624976E-03 0 35 9 -1 0.2164463E-03 0 41 9 0 0.2796234E-03 0 47 9 1 0.2164462E-03 0 52 9 2 0.1624977E-03 0 57 9 3 0.5151171E-04 0 61 9 4 0.6325296E-05 0 65 9 5 0.4495773E-06 0 68 9 6 0.1807890E-06 0 71 9 7 0.5847603E-07 0 73 9 8 0.1935517E-07 0 75 9 9 0.1182202E-07 0 1 11 -11 0.1855474E-10 0 2 11 -10 0.6108796E-10 0 4 11 -9 0.1577940E-09 0 6 11 -8 0.1549513E-09 0 9 11 -7 0.5791634E-09 0 12 11 -6 0.1389845E-08 0 16 11 -5 0.1089649E-08 0 20 11 -4 0.2204622E-08 0 25 11 -3 0.4141497E-08 0 30 11 -2 0.1749637E-07 0 36 11 -1 0.5728755E-07 0 42 11 0 0.8069110E-07 0 48 11 1 0.5728776E-07 0 53 11 2 0.1749647E-07 0 58 11 3 0.4141470E-08 0 62 11 4 0.2204657E-08 0 66 11 5 0.1089610E-08 0 69 11 6 0.1389854E-08 0 72 11 7 0.5791105E-09 0 74 11 8 0.1549405E-09 0 76 11 9 0.1577888E-09 0 77 11 10 0.6110483E-10 0 78 11 11 0.1855569E-10 1 31 1 -1 0.5019704E-01 1 37 1 0 0.1886075E+00 1 43 1 1 0.5019701E-01 1 21 3 -3 0.5487513E-02 1 26 3 -2 0.1773343E-01 1 32 3 -1 0.6388497E-01 1 38 3 0 0.2008468E+00 1 44 3 1 0.6388496E-01 1 49 3 2 0.1773338E-01 1 54 3 3 0.5487527E-02 1 13 5 -5 0.2589889E-04 1 17 5 -4 0.3433674E-04 1 22 5 -3 0.7385207E-03 1 27 5 -2 0.7646219E-02 1 33 5 -1 0.2687732E-01 1 39 5 0 0.3589547E-01 1 45 5 1 0.2687732E-01 1 50 5 2 0.7646217E-02 1 55 5 3 0.7385219E-03 1 59 5 4 0.3433761E-04 1 63 5 5 0.2589992E-04 1 7 7 -7 0.5153291E-08 1 10 7 -6 0.3437002E-07 1 14 7 -5 0.1935303E-07 1 18 7 -4 0.2102408E-07 1 23 7 -3 0.2511219E-06 1 28 7 -2 0.3540135E-05 1 34 7 -1 0.2327382E-04 1 40 7 0 0.6184108E-04 1 46 7 1 0.2327381E-04 1 51 7 2 0.3540141E-05 1 56 7 3 0.2511222E-06 1 60 7 4 0.2102433E-07 1 64 7 5 0.1935263E-07 1 67 7 6 0.3437000E-07 1 70 7 7 0.5153089E-08 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.0000000E+00 2 37 1 0 0.0000000E+00 2 43 1 1 0.0000000E+00 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.3661942E-09 1 0.6804498E-02 2 0.3617924E-02 3 0.1786165E-03 4 0.8698879E-03 5 0.2642884E-03 6 0.2707916E-04 7 0.1465153E-04 8 0.3614094E-05 9 0.1436362E-06 v, j, mj = 0 1 0 0 0.6874465E-02 1 0.1181993E-01 2 0.1325107E-02 3 0.1130298E-03 4 0.4258766E-03 5 0.4018064E-03 6 0.9074040E-04 7 0.1048403E-04 8 0.2066670E-06 9 0.2337977E-07 v, j, mj = 0 1 1 0 0.3316659E-09 1 0.6804506E-02 2 0.3617909E-02 3 0.1786104E-03 4 0.8698893E-03 5 0.2642841E-03 6 0.2707801E-04 7 0.1465125E-04 8 0.3613981E-05 9 0.1436365E-06 v, j, mj = 0 3 -3 0 0.2776521E-06 1 0.1335883E-04 2 0.2118748E-03 3 0.6135375E-04 4 0.7242338E-04 5 0.8763734E-04 6 0.6124248E-04 7 0.9964351E-05 8 0.9255630E-06 9 0.4010399E-07 v, j, mj = 0 3 -2 0 0.1276052E-10 1 0.2347783E-03 2 0.5829551E-03 3 0.6743841E-03 4 0.2142879E-03 5 0.1614949E-03 6 0.7361580E-04 7 0.5223509E-05 8 0.6009157E-07 9 0.2557766E-08 v, j, mj = 0 3 -1 0 0.4048306E-09 1 0.2531184E-02 2 0.4505071E-03 3 0.4012581E-03 4 0.5263566E-03 5 0.2801974E-03 6 0.6387340E-04 7 0.1891206E-05 8 0.3923232E-06 9 0.1430468E-07 v, j, mj = 0 3 0 0 0.1055967E-01 1 0.1787474E-01 2 0.1030375E-02 3 0.1457628E-02 4 0.2439262E-03 5 0.2176179E-03 6 0.8386153E-04 7 0.1516727E-04 8 0.1900062E-06 9 0.1321221E-07 v, j, mj = 0 3 1 0 0.4049993E-09 1 0.2531187E-02 2 0.4505077E-03 3 0.4012580E-03 4 0.5263546E-03 5 0.2801964E-03 6 0.6387259E-04 7 0.1891241E-05 8 0.3923039E-06 9 0.1430504E-07 v, j, mj = 0 3 2 0 0.5256810E-11 1 0.2347735E-03 2 0.5829508E-03 3 0.6743829E-03 4 0.2142897E-03 5 0.1614939E-03 6 0.7361557E-04 7 0.5223493E-05 8 0.6010041E-07 9 0.2558035E-08 v, j, mj = 0 3 3 0 0.2774944E-06 1 0.1335886E-04 2 0.2118777E-03 3 0.6135469E-04 4 0.7242348E-04 5 0.8763840E-04 6 0.6124338E-04 7 0.9964307E-05 8 0.9255653E-06 9 0.4010430E-07 v, j, mj = 0 5 -5 0 0.1413280E-09 1 0.1367188E-04 2 0.4932147E-04 3 0.1957456E-04 4 0.4671990E-04 5 0.4504982E-04 6 0.2987713E-04 7 0.8597688E-05 8 0.5529052E-06 9 0.2547259E-08 v, j, mj = 0 5 -4 0 0.2159543E-09 1 0.6222696E-04 2 0.1231992E-03 3 0.1527151E-03 4 0.1461940E-03 5 0.5427069E-04 6 0.3875637E-05 7 0.1717504E-05 8 0.4728859E-07 9 0.2518932E-08 v, j, mj = 0 5 -3 0 0.1243572E-05 1 0.1139077E-03 2 0.2453224E-03 3 0.3716189E-03 4 0.1139076E-03 5 0.5630207E-04 6 0.2406700E-05 7 0.1219675E-05 8 0.8246059E-07 9 0.1709462E-08 v, j, mj = 0 5 -2 0 0.4027841E-10 1 0.1577923E-02 2 0.7031154E-03 3 0.4993508E-03 4 0.1806892E-03 5 0.5393226E-04 6 0.9096787E-05 7 0.1127608E-05 8 0.2074769E-07 9 0.6127805E-09 v, j, mj = 0 5 -1 0 0.9899947E-11 1 0.1042382E-01 2 0.3798177E-02 3 0.1976220E-03 4 0.4461447E-04 5 0.8418531E-04 6 0.2085178E-04 7 0.9906112E-06 8 0.1073909E-07 9 0.6920563E-09 v, j, mj = 0 5 0 0 0.5615110E-02 1 0.1183850E-01 2 0.3713927E-02 3 0.1218716E-02 4 0.5065993E-03 5 0.8092659E-04 6 0.1847393E-04 7 0.2455194E-05 8 0.3275869E-07 9 0.6602774E-09 v, j, mj = 0 5 1 0 0.1424546E-10 1 0.1042383E-01 2 0.3798181E-02 3 0.1976220E-03 4 0.4461465E-04 5 0.8418525E-04 6 0.2085167E-04 7 0.9905936E-06 8 0.1073919E-07 9 0.6920722E-09 v, j, mj = 0 5 2 0 0.3949509E-10 1 0.1577917E-02 2 0.7031156E-03 3 0.4993499E-03 4 0.1806897E-03 5 0.5393231E-04 6 0.9096739E-05 7 0.1127597E-05 8 0.2074947E-07 9 0.6127394E-09 v, j, mj = 0 5 3 0 0.1245357E-05 1 0.1139060E-03 2 0.2453241E-03 3 0.3716205E-03 4 0.1139070E-03 5 0.5630221E-04 6 0.2406695E-05 7 0.1219661E-05 8 0.8245869E-07 9 0.1709533E-08 v, j, mj = 0 5 4 0 0.2504535E-09 1 0.6222475E-04 2 0.1232017E-03 3 0.1527131E-03 4 0.1461944E-03 5 0.5427113E-04 6 0.3875605E-05 7 0.1717499E-05 8 0.4728759E-07 9 0.2518878E-08 v, j, mj = 0 5 5 0 0.1515649E-09 1 0.1367307E-04 2 0.4931992E-04 3 0.1957561E-04 4 0.4672022E-04 5 0.4504833E-04 6 0.2987682E-04 7 0.8597659E-05 8 0.5529047E-06 9 0.2547175E-08 v, j, mj = 0 7 -7 0 0.3084337E-11 1 0.1243369E-06 2 0.6355194E-06 3 0.1581622E-05 4 0.1825146E-05 5 0.1525095E-05 6 0.2849647E-06 7 0.1006289E-07 8 0.9515465E-09 9 0.3658029E-09 v, j, mj = 0 7 -6 0 0.9222797E-06 1 0.2701858E-06 2 0.9451414E-06 3 0.3270913E-05 4 0.2049203E-05 5 0.1135003E-05 6 0.1823955E-06 7 0.1001469E-07 8 0.1543839E-08 9 0.2336559E-09 v, j, mj = 0 7 -5 0 0.2332622E-11 1 0.2929618E-05 2 0.1766731E-04 3 0.8093854E-05 4 0.6221429E-05 5 0.2225711E-05 6 0.1958735E-06 7 0.6031017E-08 8 0.1188462E-08 9 0.1027745E-08 v, j, mj = 0 7 -4 0 0.6596484E-11 1 0.1522464E-04 2 0.3880652E-04 3 0.5530743E-04 4 0.1030964E-04 5 0.3464106E-05 6 0.3182638E-06 7 0.8238379E-08 8 0.1304846E-08 9 0.1170712E-08 v, j, mj = 0 7 -3 0 0.8993785E-06 1 0.6996818E-04 2 0.1630389E-03 3 0.1304589E-03 4 0.1722778E-04 5 0.5319580E-05 6 0.2969707E-06 7 0.8530612E-08 8 0.1107683E-08 9 0.1056337E-08 v, j, mj = 0 7 -2 0 0.2545235E-10 1 0.6620415E-03 2 0.1470030E-03 3 0.1766730E-03 4 0.1933518E-04 5 0.4433614E-05 6 0.3701724E-06 7 0.2449132E-07 8 0.2102923E-08 9 0.8592748E-09 v, j, mj = 0 7 -1 0 0.2049578E-12 1 0.1753056E-02 2 0.2129058E-03 3 0.3042480E-03 4 0.1058626E-04 5 0.6318085E-05 6 0.9106556E-06 7 0.2374073E-07 8 0.5431058E-09 9 0.1213703E-08 v, j, mj = 0 7 0 0 0.2574110E-03 1 0.7219117E-03 2 0.2103501E-04 3 0.2309746E-03 4 0.9202085E-04 5 0.1454171E-04 6 0.1000373E-05 7 0.5333721E-07 8 0.2622933E-08 9 0.6803619E-09 v, j, mj = 0 7 1 0 0.2674808E-12 1 0.1753057E-02 2 0.2129061E-03 3 0.3042478E-03 4 0.1058627E-04 5 0.6318095E-05 6 0.9106546E-06 7 0.2373996E-07 8 0.5431090E-09 9 0.1213704E-08 v, j, mj = 0 7 2 0 0.2479144E-10 1 0.6620417E-03 2 0.1470032E-03 3 0.1766731E-03 4 0.1933520E-04 5 0.4433658E-05 6 0.3701685E-06 7 0.2449124E-07 8 0.2102974E-08 9 0.8592810E-09 v, j, mj = 0 7 3 0 0.8993301E-06 1 0.6996821E-04 2 0.1630382E-03 3 0.1304593E-03 4 0.1722765E-04 5 0.5319540E-05 6 0.2969715E-06 7 0.8530033E-08 8 0.1107689E-08 9 0.1056335E-08 v, j, mj = 0 7 4 0 0.7218645E-11 1 0.1522479E-04 2 0.3880704E-04 3 0.5530711E-04 4 0.1030941E-04 5 0.3464103E-05 6 0.3182692E-06 7 0.8237905E-08 8 0.1304847E-08 9 0.1170714E-08 v, j, mj = 0 7 5 0 0.2847291E-11 1 0.2929950E-05 2 0.1766778E-04 3 0.8093566E-05 4 0.6221399E-05 5 0.2225706E-05 6 0.1958691E-06 7 0.6030954E-08 8 0.1188378E-08 9 0.1027725E-08 v, j, mj = 0 7 6 0 0.9222469E-06 1 0.2701481E-06 2 0.9449868E-06 3 0.3270996E-05 4 0.2049244E-05 5 0.1134954E-05 6 0.1823974E-06 7 0.1001467E-07 8 0.1543856E-08 9 0.2336553E-09 v, j, mj = 0 7 7 0 0.1200186E-11 1 0.1242947E-06 2 0.6356680E-06 3 0.1581686E-05 4 0.1825164E-05 5 0.1525175E-05 6 0.2849854E-06 7 0.1006172E-07 8 0.9514454E-09 9 0.3657953E-09 v, j, mj = 0 9 -9 0 0.7657004E-11 1 0.1535805E-09 2 0.1080675E-08 3 0.5833990E-08 4 0.3770513E-08 5 0.5253528E-09 6 0.3143938E-09 7 0.1792568E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.4350347E-13 1 0.2929127E-09 2 0.7987965E-08 3 0.6094256E-08 4 0.2917153E-08 5 0.7508835E-09 6 0.8031527E-09 7 0.4911239E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.2543266E-13 1 0.3380857E-07 2 0.7251054E-08 3 0.1103786E-07 4 0.3826866E-08 5 0.1226613E-08 6 0.8012815E-09 7 0.5347284E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1704617E-07 1 0.3380298E-07 2 0.7241525E-07 3 0.3985122E-07 4 0.1035029E-07 5 0.3208282E-08 6 0.3567325E-08 7 0.5868558E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1146460E-13 1 0.6422572E-07 2 0.1111498E-06 3 0.2409942E-06 4 0.2194000E-07 5 0.5980920E-08 6 0.3831108E-08 7 0.1449912E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.9792609E-14 1 0.3068606E-06 2 0.3567068E-05 3 0.2391675E-05 4 0.5105105E-07 5 0.4231092E-08 6 0.2396470E-08 7 0.1924100E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1178248E-07 1 0.2794279E-05 2 0.4277467E-04 3 0.5850117E-05 4 0.6468168E-07 5 0.7015635E-08 6 0.7860902E-08 7 0.1319453E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1860032E-12 1 0.5401730E-04 2 0.1043658E-03 3 0.3964753E-05 4 0.1254704E-06 5 0.1705396E-07 6 0.4929047E-08 7 0.2292700E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3319737E-13 1 0.1149983E-03 2 0.9020684E-04 3 0.1086855E-04 4 0.3149440E-06 5 0.4469773E-07 6 0.1173314E-07 7 0.1287980E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.7783023E-05 1 0.8255414E-04 2 0.1818553E-03 3 0.7177051E-05 4 0.1872586E-06 5 0.5673632E-07 6 0.8414507E-08 7 0.1464452E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.9293240E-14 1 0.1149982E-03 2 0.9020687E-04 3 0.1086855E-04 4 0.3149468E-06 5 0.4469699E-07 6 0.1173315E-07 7 0.1287986E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1940862E-12 1 0.5401729E-04 2 0.1043659E-03 3 0.3964767E-05 4 0.1254682E-06 5 0.1705390E-07 6 0.4929044E-08 7 0.2292693E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1183556E-07 1 0.2794264E-05 2 0.4277462E-04 3 0.5850106E-05 4 0.6468704E-07 5 0.7015516E-08 6 0.7860870E-08 7 0.1319457E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1233410E-13 1 0.3069168E-06 2 0.3567103E-05 3 0.2391678E-05 4 0.5104604E-07 5 0.4230899E-08 6 0.2396424E-08 7 0.1924076E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1171926E-13 1 0.6422256E-07 2 0.1111720E-06 3 0.2409836E-06 4 0.2193625E-07 5 0.5981884E-08 6 0.3831090E-08 7 0.1449899E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1704488E-07 1 0.3379957E-07 2 0.7240461E-07 3 0.3983975E-07 4 0.1033863E-07 5 0.3207465E-08 6 0.3567275E-08 7 0.5868440E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1612680E-13 1 0.3380352E-07 2 0.7245567E-08 3 0.1103840E-07 4 0.3824333E-08 5 0.1228192E-08 6 0.8012675E-09 7 0.5347389E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.4940857E-13 1 0.2962534E-09 2 0.8006031E-08 3 0.6095812E-08 4 0.2912861E-08 5 0.7498414E-09 6 0.8031917E-09 7 0.4911288E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.7903262E-11 1 0.1469842E-09 2 0.1073026E-08 3 0.5814982E-08 4 0.3761287E-08 5 0.5243282E-09 6 0.3142512E-09 7 0.1792594E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.1411330E-16 1 0.3333264E-12 2 0.1294193E-10 3 0.5279472E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -10 0 0.1539015E-16 1 0.8997223E-11 2 0.1869276E-10 3 0.3339797E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -9 0 0.4372585E-12 1 0.1202386E-10 2 0.4226727E-10 3 0.1030656E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -8 0 0.6770574E-16 1 0.1426128E-10 2 0.1419647E-10 3 0.1264934E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -7 0 0.1052643E-15 1 0.3816450E-10 2 0.2030838E-09 3 0.3379151E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -6 0 0.5355963E-09 1 0.8700808E-10 2 0.2554093E-09 3 0.5118313E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -5 0 0.8906360E-16 1 0.2616323E-09 2 0.3060888E-09 3 0.5219277E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -4 0 0.2788060E-15 1 0.1377292E-09 2 0.4004347E-09 3 0.1666458E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -3 0 0.1978214E-10 1 0.2209928E-08 2 0.6823692E-09 3 0.1229418E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -2 0 0.2201778E-16 1 0.4717444E-08 2 0.1161773E-07 3 0.1161187E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -1 0 0.6551154E-18 1 0.2449695E-07 2 0.3146796E-07 3 0.1322639E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 0 0 0.1713607E-07 1 0.4237485E-07 2 0.1643453E-07 3 0.4745652E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 1 0 0.1555008E-17 1 0.2449700E-07 2 0.3146813E-07 3 0.1322626E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 2 0 0.7091706E-17 1 0.4717528E-08 2 0.1161776E-07 3 0.1161180E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 3 0 0.1978714E-10 1 0.2209896E-08 2 0.6823696E-09 3 0.1229418E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 4 0 0.2225112E-15 1 0.1377454E-09 2 0.4004516E-09 3 0.1666459E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 5 0 0.1110455E-15 1 0.2616152E-09 2 0.3060670E-09 3 0.5219272E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 6 0 0.5355999E-09 1 0.8700142E-10 2 0.2554071E-09 3 0.5118459E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 7 0 0.8103461E-16 1 0.3815669E-10 2 0.2030589E-09 3 0.3378948E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 8 0 0.2011085E-16 1 0.1425832E-10 2 0.1419798E-10 3 0.1264842E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 9 0 0.4354972E-12 1 0.1202052E-10 2 0.4227360E-10 3 0.1030592E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 10 0 0.3735253E-16 1 0.8997102E-11 2 0.1870213E-10 3 0.3340557E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 11 0 0.2476880E-17 1 0.3334222E-12 2 0.1294454E-10 3 0.5277720E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.6250106E-10 1 0.1721948E-01 2 0.4846245E-02 3 0.7314456E-02 4 0.5169354E-02 5 0.1410843E-01 6 0.1531000E-02 7 0.8077398E-05 8 0.8474216E-09 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1290389E-01 1 0.1763316E-01 2 0.1055073E+00 3 0.4757860E-01 4 0.4316499E-02 5 0.6645652E-03 6 0.3048215E-05 7 0.4069170E-06 8 0.2487004E-08 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.4943653E-10 1 0.1721948E-01 2 0.4846237E-02 3 0.7314461E-02 4 0.5169357E-02 5 0.1410840E-01 6 0.1530997E-02 7 0.8077380E-05 8 0.8474096E-09 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2059990E-05 1 0.2872840E-03 2 0.7270282E-03 3 0.8867324E-03 4 0.2882078E-02 5 0.6921427E-03 6 0.1017250E-04 7 0.1529291E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.9341220E-10 1 0.5014235E-02 2 0.5954409E-02 3 0.5453877E-02 4 0.1250631E-02 5 0.5852323E-04 6 0.1732565E-05 7 0.1954782E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1024208E-11 1 0.2825525E-01 2 0.1371353E-01 3 0.1682548E-01 4 0.2371302E-02 5 0.2612633E-02 6 0.1065964E-03 7 0.1904270E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4245159E-01 1 0.6581426E-01 2 0.6001149E-01 3 0.2815895E-01 4 0.4086235E-02 5 0.3191474E-03 6 0.5092292E-05 7 0.5690709E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1818139E-11 1 0.2825525E-01 2 0.1371352E-01 3 0.1682547E-01 4 0.2371304E-02 5 0.2612629E-02 6 0.1065963E-03 7 0.1904270E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.9017236E-10 1 0.5014239E-02 2 0.5954383E-02 3 0.5453855E-02 4 0.1250628E-02 5 0.5852332E-04 6 0.1732560E-05 7 0.1954777E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.2059482E-05 1 0.2872852E-03 2 0.7270295E-03 3 0.8867296E-03 4 0.2882090E-02 5 0.6921446E-03 6 0.1017253E-04 7 0.1529299E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.2845807E-11 1 0.6397883E-05 2 0.4553255E-05 3 0.1297043E-04 4 0.1864813E-05 5 0.7622309E-07 6 0.3628430E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.3640196E-11 1 0.8323172E-05 2 0.1439015E-04 3 0.9379143E-05 4 0.2086238E-05 5 0.1515847E-06 6 0.6451094E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.1345465E-05 1 0.2393964E-03 2 0.4527939E-03 3 0.3203948E-04 4 0.1254865E-04 5 0.3761965E-06 6 0.2055171E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.1181307E-11 1 0.5729687E-02 2 0.1778851E-02 3 0.1249328E-03 4 0.1246164E-04 5 0.2666607E-06 6 0.1970146E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.9221987E-13 1 0.2491304E-01 2 0.1353216E-02 3 0.5683969E-03 4 0.3887358E-04 5 0.3753952E-05 6 0.4169051E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.1577013E-01 1 0.1302459E-01 2 0.6157803E-02 3 0.8938290E-03 4 0.4781528E-04 5 0.1275959E-05 6 0.3088343E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.2615038E-13 1 0.2491304E-01 2 0.1353218E-02 3 0.5683965E-03 4 0.3887362E-04 5 0.3753948E-05 6 0.4169088E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1075279E-11 1 0.5729688E-02 2 0.1778849E-02 3 0.1249321E-03 4 0.1246156E-04 5 0.2666621E-06 6 0.1970125E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1345964E-05 1 0.2393961E-03 2 0.4527947E-03 3 0.3203968E-04 4 0.1254871E-04 5 0.3761933E-06 6 0.2055229E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3613117E-11 1 0.8322981E-05 2 0.1439070E-04 3 0.9379637E-05 4 0.2086254E-05 5 0.1515865E-06 6 0.6450951E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.3038344E-11 1 0.6398231E-05 2 0.4553532E-05 3 0.1297081E-04 4 0.1864842E-05 5 0.7622245E-07 6 0.3628417E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1704814E-14 1 0.7326923E-09 2 0.2007948E-08 3 0.2412649E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -6 0 0.8077897E-09 1 0.3558558E-08 2 0.1976809E-07 3 0.1023558E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -5 0 0.3842054E-15 1 0.5315274E-08 2 0.9671294E-08 3 0.4366465E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.5318976E-15 1 0.3515259E-08 2 0.1261394E-07 3 0.4894886E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -3 0 0.5042764E-09 1 0.9929414E-07 2 0.1414533E-06 3 0.9870121E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -2 0 0.4674762E-15 1 0.2158023E-05 2 0.1171576E-05 3 0.2105369E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.3052103E-16 1 0.1861165E-04 2 0.4417640E-05 3 0.2445302E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 0 0 0.1937202E-04 1 0.3665755E-04 2 0.5555196E-05 3 0.2563134E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.7078821E-16 1 0.1861165E-04 2 0.4417638E-05 3 0.2445279E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.4436777E-15 1 0.2158026E-05 2 0.1171576E-05 3 0.2105383E-06 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 3 0 0.5046632E-09 1 0.9929404E-07 2 0.1414531E-06 3 0.9870367E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.5772403E-15 1 0.3515075E-08 2 0.1261415E-07 3 0.4895108E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.4583678E-15 1 0.5315415E-08 2 0.9670806E-08 3 0.4366405E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 6 0 0.8077568E-09 1 0.3558474E-08 2 0.1976821E-07 3 0.1023556E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 7 0 0.1336617E-14 1 0.7326200E-09 2 0.2007924E-08 3 0.2412544E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9319940 average vibrational energy (ev) = 0.421275 average rotational energy (ev) = 0.086935 average diffraction energy (ev) = 0.032599 the reaction probability = 0.6800596D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38705366D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.2112811E+00 0.2916076E-01 0.1627934E+00 1 0.6015775E+00 0.3878470E-01 0.1058696E+00 2 0.6739218E-07 0.1637882E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.4958879E-02 0 37 1 0 0.1567479E-01 0 43 1 1 0.4958913E-02 0 21 3 -3 0.1175902E-02 0 26 3 -2 0.4990714E-02 0 32 3 -1 0.1573408E-01 0 38 3 0 0.2643517E-01 0 44 3 1 0.1573411E-01 0 49 3 2 0.4990707E-02 0 54 3 3 0.1175897E-02 0 13 5 -5 0.1232989E-02 0 17 5 -4 0.3444302E-02 0 22 5 -3 0.4706834E-02 0 27 5 -2 0.9917695E-02 0 33 5 -1 0.2468232E-01 0 39 5 0 0.1152347E-01 0 45 5 1 0.2468235E-01 0 50 5 2 0.9917688E-02 0 55 5 3 0.4706839E-02 0 59 5 4 0.3444321E-02 0 63 5 5 0.1232959E-02 0 7 7 -7 0.2571257E-03 0 10 7 -6 0.2860970E-03 0 14 7 -5 0.4292345E-03 0 18 7 -4 0.5825899E-03 0 23 7 -3 0.5969066E-03 0 28 7 -2 0.1483824E-02 0 34 7 -1 0.2490293E-02 0 40 7 0 0.9707496E-03 0 46 7 1 0.2490295E-02 0 51 7 2 0.1483823E-02 0 56 7 3 0.5969098E-03 0 60 7 4 0.5825882E-03 0 64 7 5 0.4292364E-03 0 67 7 6 0.2860892E-03 0 70 7 7 0.2571212E-03 0 3 9 -9 0.1117464E-05 0 5 9 -8 0.4664585E-06 0 8 9 -7 0.9728307E-06 0 11 9 -6 0.2103020E-05 0 15 9 -5 0.4046319E-05 0 19 9 -4 0.3678780E-04 0 24 9 -3 0.1688445E-03 0 29 9 -2 0.3813233E-03 0 35 9 -1 0.5096848E-03 0 41 9 0 0.5208280E-03 0 47 9 1 0.5096849E-03 0 52 9 2 0.3813233E-03 0 57 9 3 0.1688446E-03 0 61 9 4 0.3678789E-04 0 65 9 5 0.4046406E-05 0 68 9 6 0.2103113E-05 0 71 9 7 0.9728992E-06 0 73 9 8 0.4665871E-06 0 75 9 9 0.1118305E-05 0 1 11 -11 0.1347705E-09 0 2 11 -10 0.3006453E-09 0 4 11 -9 0.2936869E-09 0 6 11 -8 0.4450059E-09 0 9 11 -7 0.1370718E-08 0 12 11 -6 0.2592231E-08 0 16 11 -5 0.8055280E-08 0 20 11 -4 0.1280223E-07 0 25 11 -3 0.8684378E-07 0 30 11 -2 0.4373178E-06 0 36 11 -1 0.1310965E-05 0 42 11 0 0.2024968E-05 0 48 11 1 0.1310965E-05 0 53 11 2 0.4373177E-06 0 58 11 3 0.8684384E-07 0 62 11 4 0.1280227E-07 0 66 11 5 0.8055248E-08 0 69 11 6 0.2592300E-08 0 72 11 7 0.1370607E-08 0 74 11 8 0.4450505E-09 0 76 11 9 0.2937527E-09 0 77 11 10 0.3005939E-09 0 78 11 11 0.1347829E-09 1 31 1 -1 0.3339772E-01 1 37 1 0 0.9497158E-01 1 43 1 1 0.3339777E-01 1 21 3 -3 0.9690950E-02 1 26 3 -2 0.3349178E-01 1 32 3 -1 0.4321163E-01 1 38 3 0 0.8398853E-01 1 44 3 1 0.4321166E-01 1 49 3 2 0.3349169E-01 1 54 3 3 0.9690940E-02 1 13 5 -5 0.2377543E-03 1 17 5 -4 0.2648114E-03 1 22 5 -3 0.2701667E-02 1 27 5 -2 0.1723805E-01 1 33 5 -1 0.4737187E-01 1 39 5 0 0.4563767E-01 1 45 5 1 0.4737187E-01 1 50 5 2 0.1723804E-01 1 55 5 3 0.2701670E-02 1 59 5 4 0.2648135E-03 1 63 5 5 0.2377587E-03 1 7 7 -7 0.4537828E-07 1 10 7 -6 0.8743441E-07 1 14 7 -5 0.5920939E-07 1 18 7 -4 0.4655926E-06 1 23 7 -3 0.8607673E-05 1 28 7 -2 0.9315325E-04 1 34 7 -1 0.4363555E-03 1 40 7 0 0.6896708E-03 1 46 7 1 0.4363555E-03 1 51 7 2 0.9315325E-04 1 56 7 3 0.8607688E-05 1 60 7 4 0.4655893E-06 1 64 7 5 0.5920987E-07 1 67 7 6 0.8742064E-07 1 70 7 7 0.4537522E-07 1 3 9 -9 0.0000000E+00 1 5 9 -8 0.0000000E+00 1 8 9 -7 0.0000000E+00 1 11 9 -6 0.0000000E+00 1 15 9 -5 0.0000000E+00 1 19 9 -4 0.0000000E+00 1 24 9 -3 0.0000000E+00 1 29 9 -2 0.0000000E+00 1 35 9 -1 0.0000000E+00 1 41 9 0 0.0000000E+00 1 47 9 1 0.0000000E+00 1 52 9 2 0.0000000E+00 1 57 9 3 0.0000000E+00 1 61 9 4 0.0000000E+00 1 65 9 5 0.0000000E+00 1 68 9 6 0.0000000E+00 1 71 9 7 0.0000000E+00 1 73 9 8 0.0000000E+00 1 75 9 9 0.0000000E+00 1 1 11 -11 0.0000000E+00 1 2 11 -10 0.0000000E+00 1 4 11 -9 0.0000000E+00 1 6 11 -8 0.0000000E+00 1 9 11 -7 0.0000000E+00 1 12 11 -6 0.0000000E+00 1 16 11 -5 0.0000000E+00 1 20 11 -4 0.0000000E+00 1 25 11 -3 0.0000000E+00 1 30 11 -2 0.0000000E+00 1 36 11 -1 0.0000000E+00 1 42 11 0 0.0000000E+00 1 48 11 1 0.0000000E+00 1 53 11 2 0.0000000E+00 1 58 11 3 0.0000000E+00 1 62 11 4 0.0000000E+00 1 66 11 5 0.0000000E+00 1 69 11 6 0.0000000E+00 1 72 11 7 0.0000000E+00 1 74 11 8 0.0000000E+00 1 76 11 9 0.0000000E+00 1 77 11 10 0.0000000E+00 1 78 11 11 0.0000000E+00 2 31 1 -1 0.1188445E-08 2 37 1 0 0.6501528E-07 2 43 1 1 0.1188449E-08 2 21 3 -3 0.0000000E+00 2 26 3 -2 0.0000000E+00 2 32 3 -1 0.0000000E+00 2 38 3 0 0.0000000E+00 2 44 3 1 0.0000000E+00 2 49 3 2 0.0000000E+00 2 54 3 3 0.0000000E+00 2 13 5 -5 0.0000000E+00 2 17 5 -4 0.0000000E+00 2 22 5 -3 0.0000000E+00 2 27 5 -2 0.0000000E+00 2 33 5 -1 0.0000000E+00 2 39 5 0 0.0000000E+00 2 45 5 1 0.0000000E+00 2 50 5 2 0.0000000E+00 2 55 5 3 0.0000000E+00 2 59 5 4 0.0000000E+00 2 63 5 5 0.0000000E+00 2 7 7 -7 0.0000000E+00 2 10 7 -6 0.0000000E+00 2 14 7 -5 0.0000000E+00 2 18 7 -4 0.0000000E+00 2 23 7 -3 0.0000000E+00 2 28 7 -2 0.0000000E+00 2 34 7 -1 0.0000000E+00 2 40 7 0 0.0000000E+00 2 46 7 1 0.0000000E+00 2 51 7 2 0.0000000E+00 2 56 7 3 0.0000000E+00 2 60 7 4 0.0000000E+00 2 64 7 5 0.0000000E+00 2 67 7 6 0.0000000E+00 2 70 7 7 0.0000000E+00 2 3 9 -9 0.0000000E+00 2 5 9 -8 0.0000000E+00 2 8 9 -7 0.0000000E+00 2 11 9 -6 0.0000000E+00 2 15 9 -5 0.0000000E+00 2 19 9 -4 0.0000000E+00 2 24 9 -3 0.0000000E+00 2 29 9 -2 0.0000000E+00 2 35 9 -1 0.0000000E+00 2 41 9 0 0.0000000E+00 2 47 9 1 0.0000000E+00 2 52 9 2 0.0000000E+00 2 57 9 3 0.0000000E+00 2 61 9 4 0.0000000E+00 2 65 9 5 0.0000000E+00 2 68 9 6 0.0000000E+00 2 71 9 7 0.0000000E+00 2 73 9 8 0.0000000E+00 2 75 9 9 0.0000000E+00 2 1 11 -11 0.0000000E+00 2 2 11 -10 0.0000000E+00 2 4 11 -9 0.0000000E+00 2 6 11 -8 0.0000000E+00 2 9 11 -7 0.0000000E+00 2 12 11 -6 0.0000000E+00 2 16 11 -5 0.0000000E+00 2 20 11 -4 0.0000000E+00 2 25 11 -3 0.0000000E+00 2 30 11 -2 0.0000000E+00 2 36 11 -1 0.0000000E+00 2 42 11 0 0.0000000E+00 2 48 11 1 0.0000000E+00 2 53 11 2 0.0000000E+00 2 58 11 3 0.0000000E+00 2 62 11 4 0.0000000E+00 2 66 11 5 0.0000000E+00 2 69 11 6 0.0000000E+00 2 72 11 7 0.0000000E+00 2 74 11 8 0.0000000E+00 2 76 11 9 0.0000000E+00 2 77 11 10 0.0000000E+00 2 78 11 11 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2072329E-08 1 0.2860073E-02 2 0.1138457E-02 3 0.3528049E-03 4 0.2987472E-03 5 0.1873687E-03 6 0.9294262E-04 7 0.1993247E-04 8 0.7714269E-05 9 0.8370311E-06 v, j, mj = 0 1 0 0 0.4643930E-02 1 0.6966605E-02 2 0.3192085E-02 3 0.3673377E-03 4 0.1053321E-03 5 0.9538394E-04 6 0.2887604E-03 7 0.1359027E-04 8 0.1742938E-05 9 0.2237151E-07 v, j, mj = 0 1 1 0 0.2115224E-08 1 0.2860092E-02 2 0.1138463E-02 3 0.3528001E-03 4 0.2987536E-03 5 0.1873746E-03 6 0.9294451E-04 7 0.1993216E-04 8 0.7714407E-05 9 0.8370110E-06 v, j, mj = 0 3 -3 0 0.4317012E-06 1 0.3037131E-04 2 0.1720045E-03 3 0.6949823E-04 4 0.5073420E-03 5 0.2326594E-03 6 0.8112960E-04 7 0.6412211E-04 8 0.1709664E-04 9 0.1246666E-05 v, j, mj = 0 3 -2 0 0.1695075E-08 1 0.1748662E-02 2 0.1147042E-02 3 0.1316528E-02 4 0.2148192E-03 5 0.4369650E-03 6 0.1187156E-03 7 0.4532323E-05 8 0.3354921E-05 9 0.9448046E-07 v, j, mj = 0 3 -1 0 0.1001297E-08 1 0.9433631E-02 2 0.3097007E-02 3 0.2429392E-02 4 0.4487331E-03 5 0.1457446E-03 6 0.1417699E-03 7 0.3659296E-04 8 0.1157847E-05 9 0.4733583E-07 v, j, mj = 0 3 0 0 0.7609559E-02 1 0.1241034E-01 2 0.2196299E-02 3 0.3066201E-02 4 0.8230194E-03 5 0.1660403E-03 6 0.1383888E-03 7 0.2418534E-04 8 0.1121232E-05 9 0.1382014E-07 v, j, mj = 0 3 1 0 0.1002399E-08 1 0.9433646E-02 2 0.3097009E-02 3 0.2429410E-02 4 0.4487333E-03 5 0.1457474E-03 6 0.1417695E-03 7 0.3659313E-04 8 0.1157849E-05 9 0.4733950E-07 v, j, mj = 0 3 2 0 0.1509206E-08 1 0.1748668E-02 2 0.1147013E-02 3 0.1316541E-02 4 0.2148214E-03 5 0.4369653E-03 6 0.1187150E-03 7 0.4532426E-05 8 0.3354884E-05 9 0.9447585E-07 v, j, mj = 0 3 3 0 0.4302620E-06 1 0.3037350E-04 2 0.1720082E-03 3 0.6948781E-04 4 0.5073340E-03 5 0.2326674E-03 6 0.8113117E-04 7 0.6412178E-04 8 0.1709628E-04 9 0.1246666E-05 v, j, mj = 0 5 -5 0 0.3118449E-08 1 0.7333864E-04 2 0.3044292E-03 3 0.1641678E-03 4 0.2203239E-03 5 0.2392035E-03 6 0.1711214E-03 7 0.5445234E-04 8 0.5866237E-05 9 0.8258894E-07 v, j, mj = 0 5 -4 0 0.9660482E-09 1 0.2977309E-03 2 0.1186520E-02 3 0.7378097E-03 4 0.8525952E-03 5 0.2986240E-03 6 0.4248939E-04 7 0.2700500E-04 8 0.1509951E-05 9 0.1651940E-07 v, j, mj = 0 5 -3 0 0.5085370E-05 1 0.6416221E-03 2 0.2254462E-02 3 0.7781510E-03 4 0.4658038E-03 5 0.4967689E-03 6 0.5948218E-04 7 0.5061522E-05 8 0.3912013E-06 9 0.6292922E-08 v, j, mj = 0 5 -2 0 0.5254891E-09 1 0.2927551E-02 2 0.5068303E-02 3 0.1568334E-02 4 0.1977649E-03 5 0.1303366E-03 6 0.2263591E-04 7 0.2618029E-05 8 0.1494177E-06 9 0.1350292E-08 v, j, mj = 0 5 -1 0 0.2793716E-09 1 0.1925400E-01 2 0.4279381E-02 3 0.9404298E-03 4 0.1265173E-03 5 0.5142491E-04 6 0.2361946E-04 7 0.6753692E-05 8 0.1966720E-06 9 0.1071276E-08 v, j, mj = 0 5 0 0 0.1576150E-02 1 0.8387799E-02 2 0.6867172E-03 3 0.2153332E-03 4 0.4648905E-03 5 0.1772317E-03 6 0.1097412E-04 7 0.4124001E-05 8 0.2513027E-06 9 0.1035821E-08 v, j, mj = 0 5 1 0 0.2495683E-09 1 0.1925403E-01 2 0.4279376E-02 3 0.9404303E-03 4 0.1265178E-03 5 0.5142671E-04 6 0.2361942E-04 7 0.6753702E-05 8 0.1966699E-06 9 0.1071256E-08 v, j, mj = 0 5 2 0 0.3254197E-09 1 0.2927536E-02 2 0.5068297E-02 3 0.1568347E-02 4 0.1977667E-03 5 0.1303361E-03 6 0.2263564E-04 7 0.2618088E-05 8 0.1494231E-06 9 0.1350343E-08 v, j, mj = 0 5 3 0 0.5096510E-05 1 0.6416206E-03 2 0.2254478E-02 3 0.7781341E-03 4 0.4657993E-03 5 0.4967688E-03 6 0.5948318E-04 7 0.5061551E-05 8 0.3912052E-06 9 0.6292791E-08 v, j, mj = 0 5 4 0 0.1170631E-08 1 0.2977190E-03 2 0.1186544E-02 3 0.7378044E-03 4 0.8526034E-03 5 0.2986296E-03 6 0.4248936E-04 7 0.2700440E-04 8 0.1509921E-05 9 0.1651880E-07 v, j, mj = 0 5 5 0 0.3005192E-08 1 0.7334062E-04 2 0.3044201E-03 3 0.1641620E-03 4 0.2203142E-03 5 0.2392015E-03 6 0.1711180E-03 7 0.5445130E-04 8 0.5866117E-05 9 0.8258598E-07 v, j, mj = 0 7 -7 0 0.1420886E-09 1 0.1362442E-04 2 0.2571209E-04 3 0.5979592E-04 4 0.5745408E-04 5 0.6267288E-04 6 0.3369470E-04 7 0.4120348E-05 8 0.5009092E-07 9 0.1063937E-08 v, j, mj = 0 7 -6 0 0.3226057E-04 1 0.2759219E-04 2 0.3920716E-04 3 0.6907275E-04 4 0.6402821E-04 5 0.3278022E-04 6 0.1906190E-04 7 0.2060882E-05 8 0.3221721E-07 9 0.8914455E-09 v, j, mj = 0 7 -5 0 0.5079210E-11 1 0.6551915E-05 2 0.1745872E-03 3 0.6141307E-04 4 0.9699016E-04 5 0.7412105E-04 6 0.1484701E-04 7 0.7202160E-06 8 0.3426729E-08 9 0.5225891E-09 v, j, mj = 0 7 -4 0 0.3913944E-10 1 0.8049378E-04 2 0.1719206E-03 3 0.1638271E-03 4 0.1167151E-03 5 0.3886425E-04 6 0.1043792E-04 7 0.3290175E-06 8 0.1071341E-08 9 0.1168427E-08 v, j, mj = 0 7 -3 0 0.2704820E-05 1 0.8666791E-04 2 0.1229473E-03 3 0.2625323E-03 4 0.1046671E-03 5 0.1295638E-04 6 0.4313487E-05 7 0.1147795E-06 8 0.1363318E-08 9 0.1115981E-08 v, j, mj = 0 7 -2 0 0.2501462E-10 1 0.8127167E-03 2 0.2391519E-03 3 0.3550778E-03 4 0.7168896E-04 5 0.3746374E-05 6 0.1362405E-05 7 0.7684948E-07 8 0.1678489E-08 9 0.9905331E-09 v, j, mj = 0 7 -1 0 0.3488850E-11 1 0.1650889E-02 2 0.4863218E-03 3 0.3014576E-03 4 0.4146184E-04 5 0.7983098E-05 6 0.2068782E-05 7 0.1087886E-06 8 0.1195663E-08 9 0.1389718E-08 v, j, mj = 0 7 0 0 0.2014389E-05 1 0.3540349E-03 2 0.4977964E-04 3 0.4971259E-03 4 0.4679282E-04 5 0.1964899E-04 6 0.1254491E-05 7 0.9552661E-07 8 0.2270202E-08 9 0.6373660E-09 v, j, mj = 0 7 1 0 0.3646080E-11 1 0.1650890E-02 2 0.4863231E-03 3 0.3014565E-03 4 0.4146170E-04 5 0.7983122E-05 6 0.2068795E-05 7 0.1087881E-06 8 0.1195690E-08 9 0.1389705E-08 v, j, mj = 0 7 2 0 0.2338531E-10 1 0.8127153E-03 2 0.2391523E-03 3 0.3550779E-03 4 0.7168911E-04 5 0.3746427E-05 6 0.1362420E-05 7 0.7685172E-07 8 0.1678461E-08 9 0.9905344E-09 v, j, mj = 0 7 3 0 0.2707100E-05 1 0.8666534E-04 2 0.1229488E-03 3 0.2625348E-03 4 0.1046669E-03 5 0.1295619E-04 6 0.4313495E-05 7 0.1147804E-06 8 0.1363291E-08 9 0.1115990E-08 v, j, mj = 0 7 4 0 0.3697049E-10 1 0.8049185E-04 2 0.1719245E-03 3 0.1638245E-03 4 0.1167143E-03 5 0.3886390E-04 6 0.1043783E-04 7 0.3290187E-06 8 0.1071224E-08 9 0.1168410E-08 v, j, mj = 0 7 5 0 0.1479473E-10 1 0.6552478E-05 2 0.1745902E-03 3 0.6141280E-04 4 0.9698899E-04 5 0.7412099E-04 6 0.1484679E-04 7 0.7202059E-06 8 0.3426664E-08 9 0.5225982E-09 v, j, mj = 0 7 6 0 0.3225838E-04 1 0.2758973E-04 2 0.3920723E-04 3 0.6907087E-04 4 0.6402812E-04 5 0.3277934E-04 6 0.1906155E-04 7 0.2060844E-05 8 0.3221658E-07 9 0.8914458E-09 v, j, mj = 0 7 7 0 0.1682262E-09 1 0.1362622E-04 2 0.2571452E-04 3 0.5979324E-04 4 0.5745092E-04 5 0.6267051E-04 6 0.3369414E-04 7 0.4120292E-05 8 0.5009042E-07 9 0.1063928E-08 v, j, mj = 0 9 -9 0 0.2278499E-09 1 0.1638124E-07 2 0.1134553E-06 3 0.4461366E-06 4 0.4612943E-06 5 0.7756597E-07 6 0.1967317E-08 7 0.3619483E-09 8 0.7351822E-10 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.8054913E-11 1 0.4373311E-07 2 0.1258253E-07 3 0.1970770E-06 4 0.1746541E-06 5 0.3563532E-07 6 0.1888875E-08 7 0.8359146E-09 8 0.4358820E-10 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1366271E-11 1 0.3371453E-06 2 0.2265176E-06 3 0.1919605E-06 4 0.1782709E-06 5 0.3603264E-07 6 0.1928159E-08 7 0.9222348E-09 8 0.5201910E-10 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.8795942E-06 1 0.2754572E-06 2 0.5794637E-06 3 0.2174059E-06 4 0.1205139E-06 5 0.2597885E-07 6 0.3221493E-08 7 0.1345622E-08 8 0.3867383E-10 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1245805E-11 1 0.3969085E-06 2 0.6822339E-06 3 0.2680162E-05 4 0.2601496E-06 5 0.1956572E-07 6 0.4019117E-08 7 0.3202860E-08 8 0.7624841E-10 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.8173035E-12 1 0.7086919E-06 2 0.2060177E-04 3 0.1507126E-04 4 0.3524206E-06 5 0.4711162E-07 6 0.4896076E-08 7 0.1419648E-08 8 0.2207515E-09 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.4754923E-07 1 0.1437898E-04 2 0.1324536E-03 3 0.2144516E-04 4 0.4022302E-06 5 0.1020527E-06 6 0.1175236E-07 7 0.3044548E-08 8 0.1377188E-09 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.2508633E-12 1 0.8956332E-04 2 0.2612153E-03 3 0.2959589E-04 4 0.8680300E-06 5 0.7347683E-07 6 0.5755795E-08 7 0.1393585E-08 8 0.2207412E-09 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.6999265E-14 1 0.1156256E-03 2 0.3564828E-03 3 0.3620370E-04 4 0.1251351E-05 5 0.1076845E-06 6 0.1164364E-07 7 0.1983227E-08 8 0.6652664E-10 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1081750E-04 1 0.9982195E-04 2 0.3700337E-03 3 0.3964478E-04 4 0.3131308E-06 5 0.1819467E-06 6 0.1296675E-07 7 0.1681034E-08 8 0.2649197E-09 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.6282204E-13 1 0.1156255E-03 2 0.3564830E-03 3 0.3620365E-04 4 0.1251351E-05 5 0.1076841E-06 6 0.1164363E-07 7 0.1983202E-08 8 0.6652827E-10 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2131961E-12 1 0.8956335E-04 2 0.2612152E-03 3 0.2959592E-04 4 0.8680341E-06 5 0.7347796E-07 6 0.5755630E-08 7 0.1393577E-08 8 0.2207365E-09 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.4762352E-07 1 0.1437902E-04 2 0.1324535E-03 3 0.2144519E-04 4 0.4022348E-06 5 0.1020535E-06 6 0.1175254E-07 7 0.3044558E-08 8 0.1377182E-09 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.7619553E-12 1 0.7088409E-06 2 0.2060180E-04 3 0.1507119E-04 4 0.3524023E-06 5 0.4711364E-07 6 0.4895889E-08 7 0.1419646E-08 8 0.2207510E-09 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1179915E-11 1 0.3968875E-06 2 0.6822777E-06 3 0.2680210E-05 4 0.2601665E-06 5 0.1956559E-07 6 0.4018581E-08 7 0.3202805E-08 8 0.7624848E-10 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.8795886E-06 1 0.2754650E-06 2 0.5794934E-06 3 0.2174568E-06 4 0.1205276E-06 5 0.2597655E-07 6 0.3220982E-08 7 0.1345600E-08 8 0.3867338E-10 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1526507E-11 1 0.3372074E-06 2 0.2264586E-06 3 0.1919604E-06 4 0.1783274E-06 5 0.3604053E-07 6 0.1929013E-08 7 0.9222592E-09 8 0.5201794E-10 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.8400874E-11 1 0.4369277E-07 2 0.1257929E-07 3 0.1971917E-06 4 0.1747063E-06 5 0.3564005E-07 6 0.1889058E-08 7 0.8359152E-09 8 0.4358712E-10 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.2455745E-09 1 0.1638407E-07 2 0.1136308E-06 3 0.4465091E-06 4 0.4615424E-06 5 0.7758970E-07 6 0.1967905E-08 7 0.3619466E-09 8 0.7352215E-10 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.6973474E-15 1 0.7560454E-11 2 0.6941228E-10 3 0.3023731E-10 4 0.2755979E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -10 0 0.1191668E-14 1 0.1184682E-10 2 0.9319488E-10 3 0.1047914E-09 4 0.9081099E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -9 0 0.1193565E-10 1 0.3697482E-11 2 0.6213971E-10 3 0.9228005E-10 4 0.1236340E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -8 0 0.8208021E-14 1 0.3581703E-10 2 0.9795547E-10 3 0.1404366E-09 4 0.1707885E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -7 0 0.1696955E-14 1 0.9158465E-10 2 0.1053845E-09 3 0.4685106E-09 4 0.7052368E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -6 0 0.3052939E-09 1 0.3643679E-09 2 0.1430235E-09 3 0.5919127E-09 4 0.1187633E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -5 0 0.6243332E-16 1 0.1550029E-08 2 0.1875869E-08 3 0.2182612E-08 4 0.2446769E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -4 0 0.7088698E-15 1 0.8389018E-09 2 0.8075213E-08 3 0.1979867E-08 4 0.1908249E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -3 0 0.4925989E-10 1 0.8463206E-08 2 0.6309673E-07 3 0.1378645E-07 4 0.1448129E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -2 0 0.4802933E-15 1 0.1079428E-06 2 0.2906315E-06 3 0.3471105E-07 4 0.4032518E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -1 0 0.6775655E-16 1 0.6407602E-06 2 0.5897425E-06 3 0.7908479E-07 4 0.1377874E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 0 0 0.3384175E-06 1 0.8921367E-06 2 0.7283235E-06 3 0.6307763E-07 4 0.3013066E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 1 0 0.1810558E-16 1 0.6407593E-06 2 0.5897425E-06 3 0.7908491E-07 4 0.1377876E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 2 0 0.6181671E-15 1 0.1079428E-06 2 0.2906315E-06 3 0.3471087E-07 4 0.4032567E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 3 0 0.4936888E-10 1 0.8462940E-08 2 0.6309680E-07 3 0.1378656E-07 4 0.1448165E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 4 0 0.7022797E-15 1 0.8391926E-09 2 0.8074946E-08 3 0.1979880E-08 4 0.1908254E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 5 0 0.7644835E-16 1 0.1550036E-08 2 0.1875897E-08 3 0.2182611E-08 4 0.2446704E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 6 0 0.3053118E-09 1 0.3644182E-09 2 0.1430419E-09 3 0.5918913E-09 4 0.1187637E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 7 0 0.1704386E-14 1 0.9155713E-10 2 0.1053352E-09 3 0.4685050E-09 4 0.7052079E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 8 0 0.6863383E-14 1 0.3587952E-10 2 0.9794386E-10 3 0.1404288E-09 4 0.1707914E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 9 0 0.1196628E-10 1 0.3710266E-11 2 0.6214896E-10 3 0.9228769E-10 4 0.1236395E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 10 0 0.1037392E-14 1 0.1182485E-10 2 0.9318212E-10 3 0.1047806E-09 4 0.9080526E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 11 0 0.5557062E-15 1 0.7562295E-11 2 0.6942482E-10 3 0.3023876E-10 4 0.2755650E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.9510151E-09 1 0.1641436E-01 2 0.2162754E-02 3 0.3258644E-02 4 0.1768451E-02 5 0.5257917E-02 6 0.4415138E-02 7 0.1203504E-03 8 0.1123209E-06 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1466122E-01 1 0.1346697E-01 2 0.1545181E-01 3 0.3557479E-01 4 0.1517677E-01 5 0.4861889E-03 6 0.1529406E-03 7 0.8673908E-06 8 0.2407580E-07 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.9023948E-09 1 0.1641434E-01 2 0.2162761E-02 3 0.3258639E-02 4 0.1768477E-02 5 0.5257938E-02 6 0.4415159E-02 7 0.1203509E-03 8 0.1123209E-06 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1956516E-05 1 0.5417508E-03 2 0.1110918E-02 3 0.1103939E-02 4 0.1932693E-02 5 0.4612419E-02 6 0.3859487E-03 7 0.1324274E-05 8 0.6298759E-09 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.9277931E-09 1 0.9410701E-02 2 0.7047094E-02 3 0.1231077E-01 4 0.4435018E-02 5 0.2619555E-03 6 0.2613574E-04 7 0.9536082E-07 8 0.3709398E-08 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2410722E-09 1 0.1745139E-01 2 0.5046833E-02 3 0.1275025E-01 4 0.5053375E-02 5 0.2312966E-02 6 0.5915612E-03 7 0.5248881E-05 8 0.5445675E-08 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1619717E-01 1 0.1829854E-01 2 0.3079467E-01 3 0.1247606E-01 4 0.6053527E-02 5 0.1308099E-03 6 0.3761364E-04 7 0.1250129E-06 8 0.2282595E-08 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2291700E-09 1 0.1745141E-01 2 0.5046843E-02 3 0.1275023E-01 4 0.5053376E-02 5 0.2312973E-02 6 0.5915641E-03 7 0.5248906E-05 8 0.5445701E-08 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1041893E-08 1 0.9410673E-02 2 0.7047098E-02 3 0.1231072E-01 4 0.4435007E-02 5 0.2619530E-03 6 0.2613566E-04 7 0.9535896E-07 8 0.3709476E-08 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1956201E-05 1 0.5417436E-03 2 0.1110929E-02 3 0.1103934E-02 4 0.1932699E-02 5 0.4612406E-02 6 0.3859475E-03 7 0.1324271E-05 8 0.6298280E-09 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.3793245E-12 1 0.1466608E-04 2 0.3913315E-04 3 0.5633738E-04 4 0.1193908E-03 5 0.8159413E-05 6 0.6737302E-07 7 0.1147470E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.1434699E-10 1 0.3328640E-04 2 0.1373067E-03 3 0.2937177E-04 4 0.6237648E-04 5 0.2446024E-05 6 0.2383600E-07 7 0.1009166E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3410317E-05 1 0.7382333E-03 2 0.1786527E-02 3 0.8430648E-04 4 0.7171352E-04 5 0.1722753E-04 6 0.2486281E-06 7 0.9920089E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3918508E-10 1 0.1091248E-01 2 0.5437088E-02 3 0.7486462E-03 4 0.1371047E-03 5 0.2640677E-05 6 0.9046331E-07 7 0.8480069E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.5369196E-11 1 0.4397536E-01 2 0.2106552E-02 3 0.1009110E-02 4 0.2559739E-03 5 0.2420819E-04 6 0.6733964E-06 7 0.3016597E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.9443193E-02 1 0.3157331E-01 2 0.3969444E-02 3 0.5165510E-03 4 0.1310809E-03 5 0.3917916E-05 6 0.1807229E-06 7 0.2020699E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.4021633E-11 1 0.4397536E-01 2 0.2106549E-02 3 0.1009108E-02 4 0.2559733E-03 5 0.2420822E-04 6 0.6733969E-06 7 0.3016620E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.5128903E-10 1 0.1091247E-01 2 0.5437092E-02 3 0.7486448E-03 4 0.1371047E-03 5 0.2640670E-05 6 0.9046389E-07 7 0.8480390E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.3411279E-05 1 0.7382337E-03 2 0.1786530E-02 3 0.8430570E-04 4 0.7171301E-04 5 0.1722752E-04 6 0.2486278E-06 7 0.9920056E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1535199E-10 1 0.3328696E-04 2 0.1373102E-03 3 0.2937107E-04 4 0.6237536E-04 5 0.2445960E-05 6 0.2383570E-07 7 0.1009202E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.2765216E-12 1 0.1466620E-04 2 0.3913426E-04 3 0.5633933E-04 4 0.1193919E-03 5 0.8159465E-05 6 0.6737326E-07 7 0.1147486E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1232321E-12 1 0.1193668E-07 2 0.2271898E-07 3 0.7853521E-08 4 0.2868981E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -6 0 0.3660209E-07 1 0.1586999E-07 2 0.1983483E-07 3 0.1147680E-07 4 0.3650699E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -5 0 0.2301800E-14 1 0.1325223E-08 2 0.3179732E-07 3 0.2035002E-07 4 0.5736818E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.6559123E-14 1 0.1886835E-06 2 0.2230740E-06 3 0.3539694E-07 4 0.1843819E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -3 0 0.8543033E-08 1 0.3197991E-05 2 0.5234462E-05 3 0.1464986E-06 4 0.2017732E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -2 0 0.7418967E-14 1 0.5956222E-04 2 0.3310336E-04 3 0.4436571E-06 4 0.4400446E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.8628785E-14 1 0.3551062E-03 2 0.7959054E-04 3 0.1614819E-05 4 0.4390682E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 0 0 0.1289911E-03 1 0.4462628E-03 2 0.1136184E-03 3 0.7771348E-06 4 0.2134000E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.3758730E-14 1 0.3551062E-03 2 0.7959056E-04 3 0.1614820E-05 4 0.4390697E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.9309301E-14 1 0.5956222E-04 2 0.3310337E-04 3 0.4436537E-06 4 0.4400458E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 3 0 0.8553068E-08 1 0.3197996E-05 2 0.5234463E-05 3 0.1464983E-06 4 0.2017727E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.5396488E-14 1 0.1886794E-06 2 0.2230746E-06 3 0.3539678E-07 4 0.1843858E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.2398981E-14 1 0.1325424E-08 2 0.3179745E-07 3 0.2035031E-07 4 0.5736682E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 6 0 0.3659510E-07 1 0.1586388E-07 2 0.1983453E-07 3 0.1147639E-07 4 0.3650745E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 7 0 0.2610814E-13 1 0.1193602E-07 2 0.2271687E-07 3 0.7853358E-08 4 0.2868953E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 1 -1 0 0.7834923E-15 1 0.1188444E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 1 0 0 0.5399523E-07 1 0.1102005E-07 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 2 1 1 0 0.8308059E-15 1 0.1188448E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.8128586 average vibrational energy (ev) = 0.377017 average rotational energy (ev) = 0.120665 average diffraction energy (ev) = 0.036283 the reaction probability = 0.1871414D+00 etrans(icomin)= 0.153164 etrans(icomax)= 0.548542 etrans= 0.550000 CPU TIMES Total computation 353586.5198 (a) ... Propagating the wavefunction 350520.4544 (b) Setup time 2524.4629 Saving the wave function for rerun 117.1846 Calculating averages 12.0646 Calculating and saving BK-coeffs 24.5964 Asymptotic analysis 9.1710 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 353207.9339 (a) ... FFTs along X and Y 19325.9103 Kinetic energy operation along Z 69973.0272 Kinetic energy operation along r 65119.1262 Potential energy multiplication 43791.6307 Legengre transforms 128261.6924 Shifting the wavefunction 12783.6042 Kinetic energy multiplications (xy) 1653.1165 Absorbing the wavefunction 1944.4082 Projection formalism 105.5042 Operations on specular grid 0.1945 ----------------------------------------------------- Sum 342958.2142 (b) ... Potential initialisation time 0.0000 Potential setup time 2469.3743 FFTs along X 10895.2405 FFTs along Y 8430.6698 Time spent on FGH for asympwf 0.5946 Ending date and time: Fri Oct 25 17:16:48 CEST 2019