Starting date and time: Mon Oct 21 18:13:28 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 181328.875 *** * 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: v1j1mj1-0.15eV-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: 1 * 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: 1 * 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 = 1 ... *** 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 = 0.57935715E-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 = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 146 iz = 150 iz = 145 iz = 154 iz = 149 iz = 158 iz = 153 iz = 162 iz = 143 iz = 157 iz = 161 iz = 147 iz = 151 iz = 155 iz = 159 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 = 0.23712963E+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 = 323 ******************************************************************************** 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 = 11383 ******************************************************************************** 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 1.55903399 0.47393711E-01 0.13000000E+04 0.99997767 14.11763257 1.55903164 0.33588408E-01 0.13500000E+04 0.99997681 13.99129279 1.55901889 0.23770586E-01 0.14000000E+04 0.99997595 13.86493437 1.55899941 0.16829608E-01 0.14500000E+04 0.99997509 13.73855567 1.55898963 0.11938779E-01 0.15000000E+04 0.99997423 13.61215483 1.55901243 0.84966472E-02 0.15500000E+04 0.99997337 13.48572973 1.55904930 0.60727310E-02 0.16000000E+04 0.99997251 13.35927790 1.55905697 0.43624184E-02 0.16500000E+04 0.99997165 13.23279655 1.55905396 0.31518046E-02 0.17000000E+04 0.99997079 13.10628249 1.55905448 0.22913793E-02 0.17500000E+04 0.99996993 12.97973211 1.55904463 0.16768832E-02 0.18000000E+04 0.99996907 12.85314143 1.55904883 0.12356436E-02 0.18500000E+04 0.99996821 12.72650609 1.55908362 0.91695167E-03 0.19000000E+04 0.99996735 12.59982136 1.55914156 0.68534491E-03 0.19500000E+04 0.99996650 12.47308225 1.55917855 0.51594319E-03 0.20000000E+04 0.99996564 12.34628348 1.55919004 0.39122170E-03 0.20500000E+04 0.99996478 12.21941959 1.55921072 0.29878135E-03 0.21000000E+04 0.99996392 12.09248492 1.55922646 0.22980494E-03 0.21500000E+04 0.99996306 11.96547371 1.55925141 0.17798979E-03 0.22000000E+04 0.99996220 11.83838008 1.55930649 0.13880549E-03 0.22500000E+04 0.99996134 11.71119807 1.55938633 0.10897655E-03 0.23000000E+04 0.99996048 11.58392164 1.55945143 0.86121477E-04 0.23500000E+04 0.99995962 11.45654470 1.55948182 0.68497329E-04 0.24000000E+04 0.99995876 11.32906109 1.55951209 0.54821324E-04 0.24500000E+04 0.99995791 11.20146460 1.55955104 0.44143512E-04 0.25000000E+04 0.99995705 11.07374899 1.55958935 0.35756204E-04 0.25500000E+04 0.99995619 10.94590800 1.55965877 0.29129106E-04 0.26000000E+04 0.99995533 10.81793539 1.55974928 0.23862565E-04 0.26500000E+04 0.99995447 10.68982497 1.55983357 0.19653436E-04 0.27000000E+04 0.99995361 10.56157065 1.55987812 0.16271408E-04 0.27500000E+04 0.99995276 10.43316656 1.55991195 0.13539336E-04 0.28000000E+04 0.99995190 10.30460714 1.55996394 0.11320957E-04 0.28500000E+04 0.99995104 10.17588721 1.56001888 0.95107196E-05 0.29000000E+04 0.99995018 10.04700220 1.56009497 0.80264257E-05 0.29500000E+04 0.99994932 9.91794824 1.56020009 0.68035098E-05 0.30000000E+04 0.99994846 9.78872242 1.56029854 0.57917982E-05 0.30500000E+04 0.99994760 9.65932300 1.56036630 0.49510126E-05 0.31000000E+04 0.99994673 9.52974967 1.56041221 0.42493113E-05 0.31500000E+04 0.99994587 9.40000386 1.56048254 0.36612615E-05 0.32000000E+04 0.99994500 9.27008903 1.56057226 0.31664771E-05 0.32500000E+04 0.99994414 9.14001102 1.56067592 0.27485527E-05 0.33000000E+04 0.99994327 9.00977844 1.56081800 0.23942174E-05 0.33500000E+04 0.99994240 8.87940305 1.56096739 0.20926745E-05 0.34000000E+04 0.99994152 8.74890018 1.56109968 0.18351051E-05 0.34500000E+04 0.99994065 8.61828914 1.56122176 0.16143025E-05 0.35000000E+04 0.99993976 8.48759367 1.56138000 0.14243823E-05 0.35500000E+04 0.99993888 8.35684234 1.56159352 0.12602882E-05 0.36000000E+04 0.99993798 8.22606901 1.56184781 0.11185093E-05 0.36500000E+04 0.99993708 8.09531317 1.56216330 0.99544697E-06 0.37000000E+04 0.99993618 7.96462037 1.56254231 0.88828124E-06 0.37500000E+04 0.99993526 7.83404253 1.56295357 0.79465689E-06 0.38000000E+04 0.99993432 7.70363825 1.56341810 0.71262797E-06 0.38500000E+04 0.99993336 7.57347309 1.56398038 0.64058616E-06 0.39000000E+04 0.99993234 7.44361972 1.56469142 0.57718257E-06 0.39500000E+04 0.99993126 7.31415807 1.56554794 0.52106114E-06 0.40000000E+04 0.99993004 7.18517536 1.56657001 0.47164592E-06 0.40500000E+04 0.99992861 7.05676606 1.56779228 0.42786601E-06 0.41000000E+04 0.99992682 6.92903187 1.56921178 0.38897019E-06 0.41500000E+04 0.99992447 6.80208147 1.57085187 0.35429931E-06 0.42000000E+04 0.99992123 6.67603035 1.57278180 0.32329074E-06 0.42500000E+04 0.99991662 6.55100045 1.57506825 0.29549328E-06 0.43000000E+04 0.99990997 6.42711971 1.57775056 0.27056357E-06 0.43500000E+04 0.99990034 6.30452157 1.58084528 0.24803370E-06 0.44000000E+04 0.99988640 6.18334441 1.58440933 0.22803889E-06 0.44500000E+04 0.99986644 6.06373089 1.58847257 0.21009588E-06 0.45000000E+04 0.99983818 5.94582732 1.59305503 0.19391679E-06 0.45500000E+04 0.99979870 5.82978288 1.59822097 0.17924559E-06 0.46000000E+04 0.99974435 5.71574880 1.60403267 0.16588758E-06 0.46500000E+04 0.99967060 5.60387745 1.61052519 0.15370592E-06 0.47000000E+04 0.99957201 5.49432141 1.61769819 0.14259572E-06 0.47500000E+04 0.99944208 5.38723243 1.62555758 0.13246232E-06 0.48000000E+04 0.99927328 5.28276052 1.63410949 0.12321888E-06 0.48500000E+04 0.99905696 5.18105298 1.64332105 0.11479276E-06 0.49000000E+04 0.99878339 5.08225346 1.65317247 0.10712220E-06 0.49500000E+04 0.99844184 4.98650097 1.66365383 0.99936188E-07 0.50000000E+04 0.99802068 4.89392889 1.67472145 0.93575385E-07 0.50500000E+04 0.99750750 4.80466399 1.68630512 0.87748707E-07 0.51000000E+04 0.99688939 4.71882556 1.69831814 0.82375083E-07 0.51500000E+04 0.99615312 4.63652476 1.71068314 0.77391156E-07 0.52000000E+04 0.99528551 4.55786419 1.72329959 0.72755860E-07 0.52500000E+04 0.99427370 4.48293765 1.73605959 0.68443639E-07 0.53000000E+04 0.99310549 4.41183002 1.74887626 0.64434957E-07 0.53500000E+04 0.99176967 4.34461714 1.76165778 0.60710995E-07 0.54000000E+04 0.99025636 4.28136573 1.77429775 0.57252600E-07 0.54500000E+04 0.98855720 4.22213344 1.78668839 0.54044286E-07 0.55000000E+04 0.98666563 4.16696924 1.79872571 0.51070905E-07 0.55500000E+04 0.98457697 4.11591434 1.81030460 0.48132468E-07 0.56000000E+04 0.98228854 4.06900371 1.82130187 0.45595877E-07 0.56500000E+04 0.97979962 4.02626816 1.83159795 0.43242765E-07 0.57000000E+04 0.97711146 3.98773685 1.84106358 0.41062015E-07 0.57500000E+04 0.97422722 3.95344027 1.84953857 0.39031865E-07 0.58000000E+04 0.97115195 3.92341341 1.85683967 0.37112888E-07 0.58500000E+04 0.96789254 3.89769895 1.86277974 0.35325858E-07 0.59000000E+04 0.96445775 3.87634976 1.86719258 0.33669401E-07 0.59500000E+04 0.96085819 3.85942980 1.86995776 0.32088965E-07 0.60000000E+04 0.95710630 3.84701242 1.87103921 0.30632729E-07 0.60500000E+04 0.95321639 3.83917531 1.87051709 0.29260862E-07 0.61000000E+04 0.94920460 3.83599200 1.86857667 0.27879288E-07 0.61500000E+04 0.94508893 3.83752077 1.86547998 0.26713531E-07 0.62000000E+04 0.94088928 3.84379282 1.86150961 0.25776255E-07 0.62500000E+04 0.93662745 3.85480238 1.85688520 0.24530342E-07 0.63000000E+04 0.93232719 3.87050139 1.85168399 0.23619709E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.63500000E+04 0.92801415 3.89080078 1.84580151 0.23441811E-07 0.64000000E+04 0.92371567 3.91557879 1.83898474 0.23085409E-07 0.64500000E+04 0.91946043 3.94469489 1.83091796 0.22755448E-07 0.65000000E+04 0.91527782 3.97800612 1.82135020 0.23707715E-07 0.65500000E+04 0.91119699 4.01538172 1.81022986 0.25833357E-07 0.66000000E+04 0.90724573 4.05671232 1.79778141 0.28365454E-07 0.66500000E+04 0.90344914 4.10191152 1.78448643 0.33127988E-07 0.67000000E+04 0.89982836 4.15090986 1.77096882 0.42633004E-07 0.67500000E+04 0.89639946 4.20364372 1.75782519 0.56629240E-07 0.68000000E+04 0.89317268 4.26004310 1.74546163 0.75469116E-07 0.68500000E+04 0.89015218 4.32002224 1.73399466 0.10435268E-06 0.69000000E+04 0.88733639 4.38347578 1.72326503 0.14973138E-06 0.69500000E+04 0.88471891 4.45028097 1.71294827 0.21590105E-06 0.70000000E+04 0.88228987 4.52030436 1.70271126 0.31141153E-06 0.70500000E+04 0.88003758 4.59340977 1.69235165 0.45606798E-06 0.71000000E+04 0.87795018 4.66946451 1.68186762 0.67879664E-06 0.71500000E+04 0.87601702 4.74834163 1.67143970 0.10140116E-05 0.72000000E+04 0.87422954 4.82991777 1.66134253 0.15059940E-05 0.72500000E+04 0.87258162 4.91406822 1.65183773 0.22171321E-05 0.73000000E+04 0.87106925 5.00066139 1.64309602 0.32303690E-05 0.73500000E+04 0.86968971 5.08955557 1.63516619 0.46399298E-05 0.74000000E+04 0.86844051 5.18059955 1.62799031 0.65395557E-05 0.74500000E+04 0.86731824 5.27363748 1.62144703 0.90260457E-05 0.75000000E+04 0.86631768 5.36851670 1.61539967 0.12215739E-04 0.75500000E+04 0.86543130 5.46509619 1.60973262 0.16245884E-04 0.76000000E+04 0.86464919 5.56325314 1.60437292 0.21247950E-04 0.76500000E+04 0.86395953 5.66288557 1.59930396 0.27336559E-04 0.77000000E+04 0.86334924 5.76391042 1.59456759 0.34649877E-04 0.77500000E+04 0.86280494 5.86625775 1.59024791 0.43404858E-04 0.78000000E+04 0.86231371 5.96986292 1.58643550 0.53894294E-04 0.78500000E+04 0.86186371 6.07465911 1.58317949 0.66430485E-04 0.79000000E+04 0.86144455 6.18057215 1.58044718 0.81320839E-04 0.79500000E+04 0.86104726 6.28751882 1.57811365 0.98920975E-04 0.80000000E+04 0.86066407 6.39540834 1.57599596 0.11970081E-03 0.80500000E+04 0.86028806 6.50414593 1.57392288 0.14420425E-03 0.81000000E+04 0.85991267 6.61363666 1.57180540 0.17291634E-03 0.81500000E+04 0.85953140 6.72378807 1.56967114 0.20616554E-03 0.82000000E+04 0.85913744 6.83451074 1.56764164 0.24417528E-03 0.82500000E+04 0.85872363 6.94571685 1.56586171 0.28719372E-03 0.83000000E+04 0.85828235 7.05731768 1.56441754 0.33553225E-03 0.83500000E+04 0.85780565 7.16922115 1.56328883 0.38944831E-03 0.84000000E+04 0.85728528 7.28133021 1.56236160 0.44901717E-03 0.84500000E+04 0.85671281 7.39354269 1.56149121 0.51417140E-03 0.85000000E+04 0.85607971 7.50575212 1.56057671 0.58491101E-03 0.85500000E+04 0.85537733 7.61784914 1.55960429 0.66148986E-03 0.86000000E+04 0.85459692 7.72972278 1.55863773 0.74438168E-03 0.86500000E+04 0.85372960 7.84126121 1.55776673 0.83407626E-03 0.87000000E+04 0.85276630 7.95235208 1.55704775 0.93092403E-03 0.87500000E+04 0.85169782 8.06288245 1.55647486 0.10352239E-02 0.88000000E+04 0.85051481 8.17273906 1.55599437 0.11474641E-02 0.88500000E+04 0.84920784 8.28180881 1.55554630 0.12684510E-02 0.89000000E+04 0.84776746 8.38997976 1.55510228 0.13991637E-02 0.89500000E+04 0.84618434 8.49714234 1.55467535 0.15404179E-02 0.90000000E+04 0.84444932 8.60319061 1.55429960 0.16926120E-02 0.90500000E+04 0.84255360 8.70802345 1.55399793 0.18557401E-02 0.91000000E+04 0.84048883 8.81154569 1.55376343 0.20295812E-02 0.91500000E+04 0.83824737 8.91366950 1.55356772 0.22137780E-02 0.92000000E+04 0.83582255 9.01431622 1.55338650 0.24076495E-02 0.92500000E+04 0.83320902 9.11341909 1.55322012 0.26098405E-02 0.93000000E+04 0.83040322 9.21092662 1.55309318 0.28181279E-02 0.93500000E+04 0.82740385 9.30680651 1.55303375 0.30296177E-02 0.94000000E+04 0.82421233 9.40104952 1.55304874 0.32412741E-02 0.94500000E+04 0.82083317 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0.21950000E+05 0.00104693 18.97404560 1.56374478 0.72258622E-04 0.22000000E+05 0.00101774 18.97662028 1.55916843 0.70078368E-04 0.22050000E+05 0.00098940 18.97907223 1.55490040 0.67972038E-04 0.22100000E+05 0.00096187 18.98140514 1.55396828 0.65936385E-04 0.22150000E+05 0.00093513 18.98362045 1.55690149 0.63967653E-04 0.22200000E+05 0.00090915 18.98571768 1.56145721 0.62062794E-04 0.22250000E+05 0.00088392 18.98769486 1.56433832 0.60220108E-04 0.22300000E+05 0.00085941 18.98954900 1.56356714 0.58438613E-04 0.22350000E+05 0.00083559 18.99127652 1.55983111 0.56716620E-04 0.22400000E+05 0.00081245 18.99287363 1.55592211 0.55050565E-04 0.22450000E+05 0.00078997 18.99433666 1.55466629 0.53435106E-04 0.22500000E+05 0.00076813 18.99566224 1.55685800 0.51864593E-04 0.22550000E+05 0.00074691 18.99684738 1.56076568 0.50335019E-04 0.22600000E+05 0.00072629 18.99788952 1.56351091 0.48845296E-04 0.22650000E+05 0.00070625 18.99878651 1.56318262 0.47397092E-04 0.22700000E+05 0.00068679 18.99953669 1.56014391 0.45993447E-04 0.22750000E+05 0.00066787 19.00013890 1.55669846 0.44637015E-04 0.22800000E+05 0.00064949 19.00059265 1.55538101 0.43328874E-04 0.22850000E+05 0.00063164 19.00089814 1.55707496 0.42068235E-04 0.22900000E+05 0.00061429 19.00105639 1.56040512 0.40852897E-04 0.22950000E+05 0.00059743 19.00106924 1.56286593 0.39679853E-04 0.23000000E+05 0.00058106 19.00093933 1.56271738 0.38545687E-04 0.23050000E+05 0.00056516 19.00066999 1.56018913 0.37446752E-04 0.23100000E+05 0.00054971 19.00026504 1.55722357 0.36379495E-04 0.23150000E+05 0.00053471 18.99972854 1.55602878 0.35341002E-04 0.23200000E+05 0.00052013 18.99906443 1.55743948 0.34329694E-04 0.23250000E+05 0.00050598 18.99827620 1.56030480 0.33345715E-04 0.23300000E+05 0.00049223 18.99736656 1.56242814 0.32390654E-04 0.23350000E+05 0.00047887 18.99633723 1.56227666 0.31466660E-04 0.23400000E+05 0.00046590 18.99518895 1.56007458 0.30575286E-04 0.23450000E+05 0.00045330 18.99392149 1.55753547 0.29716659E-04 0.23500000E+05 0.00044106 18.99253389 1.55656287 0.28889301E-04 0.23550000E+05 0.00042918 18.99102471 1.55785301 0.28090556E-04 0.23600000E+05 0.00041763 18.98939227 1.56037417 0.27317315E-04 0.23650000E+05 0.00040641 18.98763490 1.56217779 0.26566597E-04 0.23700000E+05 0.00039551 18.98575108 1.56193069 0.25835839E-04 0.23750000E+05 0.00038492 18.98373956 1.55990859 0.25122991E-04 0.23800000E+05 0.00037464 18.98159943 1.55770080 0.24426660E-04 0.23850000E+05 0.00036465 18.97933007 1.55697233 0.23746426E-04 0.23900000E+05 0.00035494 18.97693106 1.55824641 0.23083154E-04 0.23950000E+05 0.00034550 18.97440205 1.56052957 0.22438891E-04 0.24000000E+05 0.00033634 18.97174264 1.56206553 0.21816185E-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 0.000226 2.81445 2 0.1567264 0.002232 2.32209 3 0.1602884 0.002884 1.81944 4 0.1638503 0.001505 1.32054 5 0.1674123 -0.000078 0.84452 6 0.1709743 0.000100 0.39421 7 0.1745362 0.001729 -0.03880 8 0.1780982 0.002626 -0.45547 9 0.1816602 0.001465 -0.84572 10 0.1852221 -0.000436 -1.20267 11 0.1887841 -0.000637 -1.53120 12 0.1923461 0.001248 -1.84071 13 0.1959080 0.002800 -2.13518 14 0.1994700 0.001844 -2.41206 15 0.2030319 -0.000453 -2.66972 16 0.2065939 -0.000937 -2.91266 17 0.2101559 0.001134 3.13459 18 0.2137178 0.002842 2.90135 19 0.2172798 0.001734 2.67198 20 0.2208418 -0.000520 2.44751 21 0.2244037 -0.000613 2.22271 22 0.2279657 0.001374 1.98773 23 0.2315277 0.002251 1.73609 24 0.2350896 0.000854 1.46714 25 0.2386516 -0.000301 1.17513 26 0.2422135 0.000610 0.83945 27 0.2457755 0.001846 0.44280 28 0.2493375 0.001439 0.00882 29 0.2528994 0.000559 -0.41393 30 0.2564614 0.001079 -0.80109 31 0.2600234 0.002147 -1.13950 32 0.2635853 0.002084 -1.42051 33 0.2671473 0.001674 -1.65659 34 0.2707093 0.002511 -1.87003 35 0.2742712 0.003826 -2.07149 36 0.2778332 0.004110 -2.25925 37 0.2813952 0.004216 -2.43529 38 0.2849571 0.005678 -2.61022 39 0.2885191 0.007636 -2.79061 40 0.2920810 0.008617 -2.97211 41 0.2956430 0.009548 3.13120 42 0.2992050 0.011871 2.94506 43 0.3027669 0.014658 2.74740 44 0.3063289 0.016651 2.54688 45 0.3098909 0.018906 2.35072 46 0.3134528 0.022568 2.15312 47 0.3170148 0.026574 1.95327 48 0.3205768 0.030106 1.76484 49 0.3241387 0.034438 1.59356 50 0.3277007 0.040206 1.42972 51 0.3312626 0.046076 1.27036 52 0.3348246 0.051713 1.12438 53 0.3383866 0.058589 0.99098 54 0.3419485 0.066846 0.85735 55 0.3455105 0.074989 0.72021 56 0.3490725 0.083071 0.58689 57 0.3526344 0.092539 0.45230 58 0.3561964 0.103285 0.30114 59 0.3597584 0.114262 0.13511 60 0.3633203 0.125939 -0.03458 61 0.3668823 0.139154 -0.21936 62 0.3704442 0.153187 -0.43087 63 0.3740062 0.167373 -0.64402 64 0.3775682 0.182397 -0.84300 65 0.3811301 0.198321 -1.04760 66 0.3846921 0.213924 -1.25408 67 0.3882541 0.228934 -1.43739 68 0.3918160 0.244237 -1.60912 69 0.3953780 0.259785 -1.78550 70 0.3989400 0.274859 -1.94742 71 0.4025019 0.289733 -2.08931 72 0.4060639 0.304779 -2.23317 73 0.4096259 0.319324 -2.37457 74 0.4131878 0.333186 -2.49229 75 0.4167498 0.347254 -2.59717 76 0.4203117 0.361476 -2.70375 77 0.4238737 0.374881 -2.79711 78 0.4274357 0.387727 -2.87077 79 0.4309976 0.400704 -2.94262 80 0.4345596 0.413124 -3.01446 81 0.4381216 0.424706 -3.07147 82 0.4416835 0.436611 -3.12146 83 0.4452455 0.448626 3.10238 84 0.4488075 0.459250 3.04392 85 0.4523694 0.469187 2.99735 86 0.4559314 0.479882 2.94665 87 0.4594933 0.490154 2.88475 88 0.4630553 0.499170 2.82874 89 0.4666173 0.508623 2.77619 90 0.4701792 0.518453 2.70942 91 0.4737412 0.526825 2.64047 92 0.4773032 0.534867 2.58409 93 0.4808651 0.544062 2.52109 94 0.4844271 0.552437 2.44577 95 0.4879891 0.559454 2.38199 96 0.4915510 0.567350 2.32342 97 0.4951130 0.575213 2.24908 98 0.4986750 0.581141 2.17760 99 0.5022369 0.587223 2.12011 100 0.5057989 0.594081 2.04928 101 0.5093608 0.598951 1.96801 102 0.5129228 0.602704 1.90312 103 0.5164848 0.607434 1.83481 104 0.5200467 0.610649 1.74731 105 0.5236087 0.611614 1.67234 106 0.5271707 0.613177 1.60625 107 0.5307326 0.613852 1.51957 108 0.5342946 0.611310 1.43826 109 0.5378566 0.608252 1.37857 110 0.5414185 0.604738 1.30644 111 0.5449805 0.597633 1.23171 112 0.5485424 0.589463 1.18611 ******************************************************************************** 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 0.1312304E-01 0.1971143E-01 0.1408146E+00 1 0.9874952E+00 0.1999875E-01 0.1810549E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.1135083E-04 0 37 1 0 0.1169532E-03 0 43 1 1 0.1836037E-02 0 21 3 -3 0.3968802E-06 0 26 3 -2 0.1719970E-05 0 32 3 -1 0.5971578E-05 0 38 3 0 0.4282578E-03 0 44 3 1 0.3748211E-02 0 49 3 2 0.7232351E-03 0 54 3 3 0.4786439E-04 0 13 5 -5 0.1990520E-06 0 17 5 -4 0.1962184E-06 0 22 5 -3 0.3283217E-06 0 27 5 -2 0.1745375E-05 0 33 5 -1 0.1420279E-04 0 39 5 0 0.5254279E-03 0 45 5 1 0.4593043E-02 0 50 5 2 0.6289944E-03 0 55 5 3 0.2167783E-04 0 59 5 4 0.5792206E-06 0 63 5 5 0.3530959E-06 0 7 7 -7 0.1195309E-07 0 10 7 -6 0.4482892E-07 0 14 7 -5 0.5079339E-07 0 18 7 -4 0.3928161E-07 0 23 7 -3 0.1469169E-06 0 28 7 -2 0.7515505E-06 0 34 7 -1 0.6468755E-05 0 40 7 0 0.5452035E-04 0 46 7 1 0.3050332E-03 0 51 7 2 0.4174449E-04 0 56 7 3 0.4179810E-05 0 60 7 4 0.1056506E-05 0 64 7 5 0.2614649E-06 0 67 7 6 0.2675684E-06 0 70 7 7 0.6270108E-06 0 3 9 -9 0.3751996E-10 0 5 9 -8 0.9847048E-10 0 8 9 -7 0.2445964E-09 0 11 9 -6 0.5668616E-09 0 15 9 -5 0.1328280E-08 0 19 9 -4 0.3596291E-08 0 24 9 -3 0.6932594E-08 0 29 9 -2 0.7874110E-08 0 35 9 -1 0.2211370E-07 0 41 9 0 0.1370724E-06 0 47 9 1 0.5994833E-06 0 52 9 2 0.1162486E-06 0 57 9 3 0.3962978E-07 0 61 9 4 0.1207831E-06 0 65 9 5 0.1236203E-07 0 68 9 6 0.7816582E-08 0 71 9 7 0.1012113E-07 0 73 9 8 0.2435741E-08 0 75 9 9 0.6162923E-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 0.1773262E-01 1 37 1 0 0.8231668E-01 1 43 1 1 0.8374133E+00 1 21 3 -3 0.1249373E-04 1 26 3 -2 0.1215736E-03 1 32 3 -1 0.5935223E-03 1 38 3 0 0.6169780E-02 1 44 3 1 0.2902860E-01 1 49 3 2 0.1365520E-01 1 54 3 3 0.4459027E-03 1 13 5 -5 0.2847918E-07 1 17 5 -4 0.1325701E-08 1 22 5 -3 0.1244498E-07 1 27 5 -2 0.6196066E-07 1 33 5 -1 0.8391679E-07 1 39 5 0 0.3540008E-06 1 45 5 1 0.3362697E-05 1 50 5 2 0.7309276E-06 1 55 5 3 0.5033248E-06 1 59 5 4 0.1930923E-06 1 63 5 5 0.1039063E-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 0.4268098E-12 1 0.8715409E-06 2 0.5528800E-05 3 0.4064668E-05 4 0.7348513E-06 5 0.7467023E-07 6 0.4486766E-07 7 0.2273315E-07 8 0.7814931E-08 9 0.8842517E-09 v, j, mj = 0 1 0 0 0.6040908E-15 1 0.3968005E-04 2 0.6237976E-04 3 0.1443501E-04 4 0.3836493E-06 5 0.4016968E-07 6 0.1978737E-07 7 0.1031952E-07 8 0.3816326E-08 9 0.6893231E-09 v, j, mj = 0 1 1 0 0.2865016E-03 1 0.1001828E-02 2 0.4813113E-03 3 0.6440556E-04 4 0.1865983E-05 5 0.5055658E-07 6 0.4397031E-07 7 0.1651438E-07 8 0.1266106E-07 9 0.7255918E-09 v, j, mj = 0 3 -3 0 0.9289822E-13 1 0.8902623E-08 2 0.2419794E-07 3 0.1428507E-06 4 0.8351442E-07 5 0.4274239E-07 6 0.5185757E-07 7 0.3593477E-07 8 0.5452051E-08 9 0.1427641E-08 v, j, mj = 0 3 -2 0 0.1079365E-07 1 0.8069796E-07 2 0.3515023E-06 3 0.9026179E-06 4 0.2827705E-06 5 0.4196891E-07 6 0.3062809E-07 7 0.1366254E-07 8 0.4327040E-08 9 0.1000809E-08 v, j, mj = 0 3 -1 0 0.2495807E-13 1 0.4441235E-06 2 0.3088118E-05 3 0.2191889E-05 4 0.2021642E-06 5 0.2027402E-07 6 0.1403000E-07 7 0.8802751E-08 8 0.1821228E-08 9 0.3557643E-09 v, j, mj = 0 3 0 0 0.4368543E-15 1 0.1207112E-03 2 0.2207946E-03 3 0.7848651E-04 4 0.7952515E-05 5 0.2576474E-06 6 0.2718142E-07 7 0.2336450E-07 8 0.3476016E-08 9 0.1256438E-08 v, j, mj = 0 3 1 0 0.5150512E-03 1 0.1864050E-02 2 0.1116851E-02 3 0.2328255E-03 4 0.1877459E-04 5 0.6197290E-06 6 0.2960222E-07 7 0.6366671E-08 8 0.2238636E-08 9 0.3859513E-09 v, j, mj = 0 3 2 0 0.4734438E-15 1 0.1963909E-03 2 0.3695929E-03 3 0.1421590E-03 4 0.1411940E-04 5 0.8379329E-06 6 0.9453121E-07 7 0.3372014E-07 8 0.3973157E-08 9 0.2669022E-08 v, j, mj = 0 3 3 0 0.2809947E-12 1 0.3460932E-05 2 0.2193680E-04 3 0.1869844E-04 4 0.3484556E-05 5 0.1834418E-06 6 0.6645400E-07 7 0.2092561E-07 8 0.1141973E-07 9 0.1424595E-08 v, j, mj = 0 5 -5 0 0.4213303E-08 1 0.1484339E-07 2 0.4053742E-07 3 0.3150051E-07 4 0.6088147E-07 5 0.2479244E-07 6 0.1468774E-07 7 0.5744192E-08 8 0.1765596E-08 9 0.8593371E-10 v, j, mj = 0 5 -4 0 0.9450244E-14 1 0.8235942E-08 2 0.8908235E-08 3 0.4069498E-07 4 0.4762956E-07 5 0.5058237E-07 6 0.3091994E-07 7 0.6240656E-08 8 0.2750857E-08 9 0.2558169E-09 v, j, mj = 0 5 -3 0 0.6609888E-14 1 0.3283716E-08 2 0.1237658E-06 3 0.8716703E-07 4 0.5238751E-07 5 0.4520513E-07 6 0.1199711E-07 7 0.1446640E-08 8 0.2806386E-08 9 0.2624119E-09 v, j, mj = 0 5 -2 0 0.1065524E-07 1 0.1325658E-06 2 0.1109059E-05 3 0.3938515E-06 4 0.7058284E-07 5 0.1507061E-07 6 0.1017003E-07 7 0.2244675E-08 8 0.1100587E-08 9 0.7440505E-10 v, j, mj = 0 5 -1 0 0.1414028E-13 1 0.1888800E-05 2 0.7272109E-05 3 0.4128444E-05 4 0.8471263E-06 5 0.5526344E-07 6 0.8663610E-08 7 0.1191372E-08 8 0.1014016E-08 9 0.1738240E-09 v, j, mj = 0 5 0 0 0.4105023E-15 1 0.1317175E-03 2 0.2732880E-03 3 0.1088191E-03 4 0.1124878E-04 5 0.3379720E-06 6 0.1091235E-07 7 0.4161419E-08 8 0.1517841E-08 9 0.2102325E-10 v, j, mj = 0 5 1 0 0.5496638E-03 1 0.2162031E-02 2 0.1503423E-02 3 0.3504604E-03 4 0.2691236E-04 5 0.5375925E-06 6 0.9338856E-08 7 0.3899483E-08 8 0.1211777E-08 9 0.9174294E-10 v, j, mj = 0 5 2 0 0.1489959E-14 1 0.1421206E-03 2 0.3296465E-03 3 0.1422996E-03 4 0.1445121E-04 5 0.4394353E-06 6 0.2650784E-07 7 0.8155250E-08 8 0.2176610E-08 9 0.1846428E-09 v, j, mj = 0 5 3 0 0.2213310E-13 1 0.8330919E-06 2 0.8733525E-05 3 0.1008269E-04 4 0.1863453E-05 5 0.1465707E-06 6 0.6667219E-08 7 0.8990538E-08 8 0.2767593E-08 9 0.6990927E-10 v, j, mj = 0 5 4 0 0.3226380E-08 1 0.3339491E-07 2 0.5383758E-07 3 0.1430515E-06 4 0.1826844E-06 5 0.1171732E-06 6 0.2083516E-07 7 0.2071406E-07 8 0.3358417E-08 9 0.9450244E-09 v, j, mj = 0 5 5 0 0.1401112E-12 1 0.1148175E-07 2 0.4533967E-07 3 0.8136876E-07 4 0.1303910E-06 5 0.4501935E-07 6 0.1882946E-07 7 0.1083880E-07 8 0.9612665E-08 9 0.2142826E-09 v, j, mj = 0 7 -7 0 0.6559892E-14 1 0.2384007E-08 2 0.2137198E-08 3 0.9324742E-09 4 0.7985242E-09 5 0.1498502E-08 6 0.2650933E-08 7 0.1551447E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2067717E-14 1 0.2499810E-08 2 0.1002889E-07 3 0.3385384E-08 4 0.2622187E-08 5 0.3474215E-08 6 0.9048376E-08 7 0.1377006E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6061776E-08 1 0.1228742E-07 2 0.5694452E-08 3 0.1399168E-08 4 0.9483692E-08 5 0.4650117E-08 6 0.8849297E-08 7 0.2367468E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2276093E-14 1 0.6454275E-09 2 0.1124444E-07 3 0.4282159E-08 4 0.7781238E-08 5 0.6687289E-08 6 0.2180914E-08 7 0.6460142E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1290344E-14 1 0.4568976E-08 2 0.9633993E-07 3 0.1824723E-07 4 0.1429348E-07 5 0.5301068E-08 6 0.4832571E-08 7 0.3333652E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5008414E-08 1 0.1723579E-06 2 0.4429137E-06 3 0.6747409E-07 4 0.4632063E-07 5 0.7450498E-08 6 0.5369498E-08 7 0.4655747E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9219120E-15 1 0.2656531E-05 2 0.3284881E-05 3 0.4697412E-06 4 0.4551399E-07 5 0.4185803E-08 6 0.5113340E-08 7 0.2788118E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4741253E-16 1 0.2822830E-04 2 0.2361383E-04 3 0.2383584E-05 4 0.2767801E-06 5 0.1027678E-07 6 0.4263439E-08 7 0.3325023E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6291820E-04 1 0.1727417E-03 2 0.6482436E-04 3 0.4184500E-05 4 0.3463404E-06 5 0.1018790E-07 6 0.6035144E-08 7 0.1955045E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3440508E-15 1 0.2472783E-04 2 0.1504196E-04 3 0.1622561E-05 4 0.3251139E-06 5 0.1942660E-07 6 0.4520230E-08 7 0.3068900E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3684084E-14 1 0.3531819E-05 2 0.4079014E-06 3 0.1556615E-06 4 0.6163719E-07 5 0.1073460E-07 6 0.8860614E-08 7 0.3196468E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1230289E-08 1 0.4447705E-06 2 0.2816110E-06 3 0.8740428E-07 4 0.1905108E-06 5 0.3432767E-07 6 0.1432300E-07 7 0.2328368E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2726549E-14 1 0.1189311E-07 2 0.7712521E-07 3 0.4517341E-07 4 0.9115951E-07 5 0.1494255E-07 6 0.1059082E-07 7 0.1058029E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6005779E-14 1 0.1209638E-07 2 0.4461567E-07 3 0.9543887E-07 4 0.5025884E-07 5 0.2022746E-07 6 0.2314209E-07 7 0.2178908E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1601053E-06 1 0.2481644E-06 2 0.1325204E-06 3 0.4602109E-07 4 0.1722567E-07 5 0.1031236E-07 6 0.1015618E-07 7 0.2505412E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.7460646E-17 1 0.9396033E-12 2 0.1267462E-10 3 0.9558445E-11 4 0.1434728E-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 0.5775438E-12 1 0.7788725E-12 2 0.1176668E-10 3 0.3250681E-10 4 0.5284058E-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 -7 0 0.5589731E-16 1 0.1737504E-11 2 0.2100186E-10 3 0.6023835E-10 4 0.1616186E-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 0.1263143E-16 1 0.3272857E-10 2 0.1514173E-09 3 0.8888172E-10 4 0.2938340E-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 -5 0 0.1701797E-09 1 0.1269975E-09 2 0.1487525E-09 3 0.2763134E-09 4 0.6060365E-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 -4 0 0.1453401E-17 1 0.3643884E-10 2 0.3703824E-09 3 0.5755718E-09 4 0.2613897E-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 0.1127051E-16 1 0.6175498E-09 2 0.7610580E-09 3 0.1328598E-08 4 0.4225388E-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 0.8460910E-10 1 0.2705514E-09 2 0.2859304E-08 3 0.8842973E-09 4 0.3775348E-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 0.1340548E-15 1 0.7254404E-08 2 0.8149695E-08 3 0.5013127E-08 4 0.1696471E-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 0.5870535E-17 1 0.8203387E-07 2 0.4699417E-07 3 0.6369060E-08 4 0.1675257E-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 0.2088331E-06 1 0.3058301E-06 2 0.7181100E-07 3 0.8749830E-08 4 0.4259267E-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 0.1023855E-17 1 0.8805774E-07 2 0.2224251E-07 3 0.4224402E-08 4 0.1723953E-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 0.5541688E-16 1 0.2262740E-07 2 0.8754723E-08 3 0.5213434E-08 4 0.3034220E-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 0.7777122E-09 1 0.1081318E-06 2 0.2807501E-08 3 0.4163155E-08 4 0.4903005E-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 0.7602498E-17 1 0.3751262E-08 2 0.1232577E-08 3 0.2185560E-08 4 0.5192631E-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 0.9531093E-17 1 0.4998419E-10 2 0.3473473E-09 3 0.3145081E-08 4 0.4274169E-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 0.1559635E-08 1 0.2736512E-08 2 0.1923941E-08 3 0.1444369E-08 4 0.2456676E-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 8 0 0.1914258E-17 1 0.1562476E-09 2 0.1920972E-09 3 0.7986707E-09 4 0.1288725E-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 9 0 0.2358550E-17 1 0.2387793E-11 2 0.1560243E-10 3 0.2389509E-09 4 0.3593512E-09 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 0.1288517E-12 1 0.1001312E-01 2 0.6788836E-02 3 0.9205395E-03 4 0.9925107E-05 5 0.2017671E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1248534E-14 1 0.5138692E-01 2 0.2568383E-01 3 0.5021905E-02 4 0.2235493E-03 5 0.4836173E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3444644E+00 1 0.1559254E-01 2 0.3747988E+00 3 0.1004028E+00 4 0.2151011E-02 5 0.3827757E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.9934548E-15 1 0.3246899E-05 2 0.7669265E-05 3 0.5969018E-06 4 0.9806665E-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 -2 0 0.4966021E-06 1 0.5194153E-04 2 0.5480330E-04 3 0.9759990E-05 4 0.4572186E-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 0.1616553E-13 1 0.6985237E-04 2 0.4766604E-03 3 0.4612235E-04 4 0.8872074E-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 0 0 0.3364026E-15 1 0.1746402E-02 2 0.3982963E-02 3 0.4367701E-03 4 0.3644186E-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 0.4536096E-02 1 0.8789184E-02 2 0.1282344E-01 3 0.2840636E-02 4 0.3924469E-04 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 0.8683251E-16 1 0.9191661E-02 2 0.4318473E-02 3 0.1434444E-03 4 0.1621204E-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 3 0 0.2279745E-14 1 0.3613582E-03 2 0.7490186E-04 3 0.7339840E-05 4 0.2302766E-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 -5 0 0.1314184E-07 1 0.1533734E-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 0.1447155E-16 1 0.1325701E-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 = 1 5 -3 0 0.1216211E-16 1 0.1244498E-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 -2 0 0.9413096E-08 1 0.5254756E-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 -1 0 0.7069847E-17 1 0.8391679E-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 0 0 0.1147635E-16 1 0.3540008E-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 0.2515145E-05 1 0.8475525E-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 0.4992423E-17 1 0.7309276E-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 0.3316321E-17 1 0.5033248E-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 0.7906887E-08 1 0.1851854E-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 5 0 0.1145314E-17 1 0.1039063E-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 sum of the probabilities = 1.0006182 average vibrational energy (ev) = 0.502748 average rotational energy (ev) = 0.019715 average diffraction energy (ev) = 0.019995 the reaction probability = -0.6182000D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40991080D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.7077784E-01 0.2499742E-01 0.1026226E+00 1 0.9272190E+00 0.3050602E-01 0.2501166E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.2268279E-03 0 37 1 0 0.1138069E-02 0 43 1 1 0.1724960E-01 0 21 3 -3 0.1166107E-04 0 26 3 -2 0.7791774E-04 0 32 3 -1 0.1006003E-03 0 38 3 0 0.2487083E-02 0 44 3 1 0.2645444E-01 0 49 3 2 0.4264782E-02 0 54 3 3 0.3325791E-03 0 13 5 -5 0.3838504E-06 0 17 5 -4 0.3935665E-06 0 22 5 -3 0.6531559E-05 0 27 5 -2 0.8276220E-04 0 33 5 -1 0.2107659E-03 0 39 5 0 0.8056381E-03 0 45 5 1 0.1505640E-01 0 50 5 2 0.1268018E-02 0 55 5 3 0.4570734E-04 0 59 5 4 0.3213257E-05 0 63 5 5 0.2555792E-05 0 7 7 -7 0.2968497E-07 0 10 7 -6 0.6647850E-07 0 14 7 -5 0.5710801E-07 0 18 7 -4 0.1837985E-06 0 23 7 -3 0.2476199E-05 0 28 7 -2 0.2159054E-04 0 34 7 -1 0.8316606E-04 0 40 7 0 0.1024913E-03 0 46 7 1 0.6527174E-03 0 51 7 2 0.5446214E-04 0 56 7 3 0.2580458E-04 0 60 7 4 0.4275495E-05 0 64 7 5 0.9766321E-06 0 67 7 6 0.5552252E-06 0 70 7 7 0.7236624E-06 0 3 9 -9 0.2173265E-09 0 5 9 -8 0.5079180E-09 0 8 9 -7 0.2235078E-08 0 11 9 -6 0.2315069E-08 0 15 9 -5 0.8418820E-08 0 19 9 -4 0.6401912E-08 0 24 9 -3 0.1037722E-07 0 29 9 -2 0.3062466E-07 0 35 9 -1 0.1672156E-06 0 41 9 0 0.2809574E-06 0 47 9 1 0.6889514E-06 0 52 9 2 0.6478723E-06 0 57 9 3 0.1485829E-06 0 61 9 4 0.1995509E-06 0 65 9 5 0.3587010E-07 0 68 9 6 0.4597142E-07 0 71 9 7 0.2951954E-07 0 73 9 8 0.1419341E-07 0 75 9 9 0.2138528E-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 0.3664976E-01 1 37 1 0 0.9825518E-01 1 43 1 1 0.6567841E+00 1 21 3 -3 0.3330321E-04 1 26 3 -2 0.7095992E-03 1 32 3 -1 0.9850612E-02 1 38 3 0 0.2207503E-01 1 44 3 1 0.7753453E-01 1 49 3 2 0.2083483E-01 1 54 3 3 0.4058976E-02 1 13 5 -5 0.2403651E-06 1 17 5 -4 0.1546725E-06 1 22 5 -3 0.2997561E-06 1 27 5 -2 0.9358182E-06 1 33 5 -1 0.8139508E-05 1 39 5 0 0.3718152E-04 1 45 5 1 0.2935739E-03 1 50 5 2 0.7750421E-04 1 55 5 3 0.1152521E-04 1 59 5 4 0.1536300E-05 1 63 5 5 0.1961279E-05 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 0.9161754E-11 1 0.7984348E-05 2 0.7308832E-04 3 0.1110163E-03 4 0.3273325E-04 5 0.1826100E-05 6 0.9833068E-07 7 0.6403975E-07 8 0.1283471E-07 9 0.4402820E-08 v, j, mj = 0 1 0 0 0.2901298E-14 1 0.2464216E-03 2 0.5369544E-03 3 0.3116168E-03 4 0.4190015E-04 5 0.1100220E-05 6 0.3617801E-07 7 0.2790494E-07 8 0.1012951E-07 9 0.1781447E-08 v, j, mj = 0 1 1 0 0.2129895E-02 1 0.8039721E-02 2 0.5546140E-02 3 0.1420097E-02 4 0.1113111E-03 5 0.2291101E-05 6 0.8784995E-07 7 0.3407596E-07 8 0.2027918E-07 9 0.6116886E-08 v, j, mj = 0 3 -3 0 0.2010719E-11 1 0.7045815E-07 2 0.1537890E-05 3 0.5459344E-05 4 0.3680064E-05 5 0.7373537E-06 6 0.1251028E-06 7 0.4293559E-07 8 0.4212789E-08 9 0.3707179E-08 v, j, mj = 0 3 -2 0 0.4492021E-07 1 0.1218990E-05 2 0.2058193E-04 3 0.3779389E-04 4 0.1652332E-04 5 0.1648073E-05 6 0.8593708E-07 7 0.1191582E-07 8 0.5558974E-08 9 0.3204269E-08 v, j, mj = 0 3 -1 0 0.2127500E-11 1 0.2835040E-05 2 0.2860895E-04 3 0.4757545E-04 4 0.2019511E-04 5 0.1339273E-05 6 0.2942575E-07 7 0.1264501E-07 8 0.3021629E-08 9 0.1392172E-08 v, j, mj = 0 3 0 0 0.6585621E-14 1 0.5308229E-03 2 0.1103262E-02 3 0.6878715E-03 4 0.1548501E-03 5 0.1000094E-04 6 0.2296062E-06 7 0.3124148E-07 8 0.1140591E-07 9 0.2532864E-08 v, j, mj = 0 3 1 0 0.2900342E-02 1 0.1144674E-01 2 0.8793166E-02 3 0.2865509E-02 4 0.4245196E-03 5 0.2367820E-04 6 0.4552418E-06 7 0.2983211E-07 8 0.4546466E-08 9 0.1101702E-08 v, j, mj = 0 3 2 0 0.4290406E-13 1 0.6056559E-03 2 0.1794342E-02 3 0.1500601E-02 4 0.3417052E-03 5 0.2183110E-04 6 0.5978108E-06 7 0.3285000E-07 8 0.1467338E-07 9 0.1683519E-08 v, j, mj = 0 3 3 0 0.4840183E-11 1 0.1491399E-04 2 0.8947969E-04 3 0.1500725E-03 4 0.7144852E-04 5 0.6451650E-05 6 0.1537644E-06 7 0.2357704E-07 8 0.3075501E-07 9 0.4680445E-08 v, j, mj = 0 5 -5 0 0.4074619E-09 1 0.4186183E-07 2 0.9790366E-07 3 0.5317474E-07 4 0.5025330E-07 5 0.1098202E-06 6 0.1803176E-07 7 0.7095583E-08 8 0.3739842E-08 9 0.1562028E-08 v, j, mj = 0 5 -4 0 0.3811139E-13 1 0.5988060E-07 2 0.5564686E-07 3 0.1320449E-06 4 0.8215235E-07 5 0.2318638E-07 6 0.1678494E-07 7 0.1356869E-07 8 0.7219332E-08 9 0.3082458E-08 v, j, mj = 0 5 -3 0 0.4801257E-13 1 0.1180172E-06 2 0.2141358E-05 3 0.3013183E-05 4 0.1067529E-05 5 0.1538589E-06 6 0.2567377E-07 7 0.8672075E-08 8 0.2408140E-08 9 0.8588507E-09 v, j, mj = 0 5 -2 0 0.2652840E-07 1 0.3018126E-05 2 0.3945216E-04 3 0.3182833E-04 4 0.7854058E-05 5 0.5664828E-06 6 0.1277703E-07 7 0.1960335E-08 8 0.1107816E-08 9 0.6766479E-09 v, j, mj = 0 5 -1 0 0.5358529E-12 1 0.3869286E-04 2 0.1308936E-03 3 0.3737631E-04 4 0.3089568E-05 5 0.6849144E-06 6 0.2221823E-07 7 0.4649457E-08 8 0.1259398E-08 9 0.5432405E-09 v, j, mj = 0 5 0 0 0.3133694E-14 1 0.1658426E-03 2 0.2770774E-03 3 0.2595319E-03 4 0.9522479E-04 5 0.7813472E-05 6 0.1422861E-06 7 0.4033158E-08 8 0.9839839E-09 9 0.6358087E-09 v, j, mj = 0 5 1 0 0.1453302E-02 1 0.5839880E-02 2 0.5156443E-02 3 0.2194783E-02 4 0.3902090E-03 5 0.2153672E-04 6 0.2435881E-06 7 0.3555417E-08 8 0.2062490E-08 9 0.3737294E-09 v, j, mj = 0 5 2 0 0.3576687E-13 1 0.1097309E-03 2 0.3903998E-03 3 0.5640025E-03 4 0.1886159E-03 5 0.1504596E-04 6 0.2119880E-06 7 0.7466219E-08 8 0.2460656E-08 9 0.1371848E-08 v, j, mj = 0 5 3 0 0.4089082E-12 1 0.5633344E-05 2 0.7396285E-05 3 0.1234555E-04 4 0.1755015E-04 5 0.2710070E-05 6 0.6037086E-07 7 0.7914654E-08 8 0.2931031E-08 9 0.7122788E-09 v, j, mj = 0 5 4 0 0.6685918E-08 1 0.3751209E-06 2 0.2403225E-06 3 0.9802146E-06 4 0.1278035E-05 5 0.2823161E-06 6 0.3486127E-07 7 0.5656840E-08 8 0.7364445E-08 9 0.2679551E-08 v, j, mj = 0 5 5 0 0.6952213E-12 1 0.2057349E-07 2 0.3250564E-06 3 0.7053052E-06 4 0.9937056E-06 5 0.4267415E-06 6 0.5614641E-07 7 0.2272213E-07 8 0.3472080E-08 9 0.2068543E-08 v, j, mj = 0 7 -7 0 0.8003966E-13 1 0.3733584E-09 2 0.3470236E-08 3 0.9833401E-08 4 0.8589350E-08 5 0.2380334E-08 6 0.2093775E-08 7 0.2942870E-08 8 0.1565255E-11 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1320205E-14 1 0.1826266E-07 2 0.2305104E-07 3 0.3366603E-08 4 0.6123265E-08 5 0.2165039E-08 6 0.5735599E-08 7 0.7705184E-08 8 0.6911057E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3698112E-08 1 0.5389292E-08 2 0.3110940E-08 3 0.1604792E-07 4 0.1022594E-07 5 0.5524657E-08 6 0.7820170E-08 7 0.5237462E-08 8 0.5351631E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.8138046E-14 1 0.6370500E-08 2 0.1019725E-06 3 0.4971025E-07 4 0.1238081E-07 5 0.7806867E-08 6 0.3452165E-08 7 0.2083778E-08 8 0.2155371E-10 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2665973E-13 1 0.8664521E-07 2 0.1393480E-05 3 0.7860731E-06 4 0.1883206E-06 5 0.1474754E-07 6 0.4544398E-08 7 0.2329790E-08 8 0.5800212E-10 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9306033E-08 1 0.2232893E-05 2 0.1242997E-04 3 0.6164603E-05 4 0.7236382E-06 5 0.2485343E-07 6 0.3116704E-08 7 0.2142493E-08 8 0.2356715E-10 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3449530E-13 1 0.2424856E-04 2 0.4655507E-04 3 0.1161209E-04 4 0.7010776E-06 5 0.4501829E-07 6 0.2486737E-08 7 0.1718634E-08 8 0.3428681E-10 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1486373E-15 1 0.5757751E-04 2 0.3944279E-04 3 0.4154281E-05 4 0.1197533E-05 5 0.1129672E-06 6 0.4076095E-08 7 0.2055930E-08 8 0.4863964E-10 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8398180E-04 1 0.2722504E-03 2 0.2389223E-03 3 0.5270317E-04 4 0.4660309E-05 5 0.1918492E-06 6 0.5951066E-08 7 0.1600299E-08 8 0.2172466E-10 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4285113E-14 1 0.4416301E-04 2 0.4415426E-05 3 0.4159373E-05 4 0.1599173E-05 5 0.1091536E-06 6 0.1302756E-07 7 0.2906431E-08 8 0.6579833E-10 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.5056758E-13 1 0.1820839E-04 2 0.5794052E-05 3 0.1682436E-05 4 0.5231525E-07 5 0.5622367E-07 6 0.8210606E-08 7 0.2915511E-08 8 0.4099270E-10 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1688039E-07 1 0.1298919E-05 2 0.2145107E-05 3 0.5535083E-06 4 0.2007128E-06 5 0.4466009E-07 6 0.9414969E-08 7 0.6255860E-08 8 0.3702862E-10 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.6516621E-14 1 0.2365553E-07 2 0.1876129E-06 3 0.5117074E-06 4 0.2003735E-06 5 0.3985192E-07 6 0.8081913E-08 7 0.5286910E-08 8 0.6203245E-10 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1293316E-13 1 0.1029670E-06 2 0.4474552E-07 3 0.1812650E-06 4 0.1359182E-06 5 0.4052574E-07 6 0.3076027E-07 7 0.1888021E-07 8 0.1632259E-09 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.9396011E-07 1 0.1942613E-06 2 0.1556881E-06 3 0.2097189E-06 4 0.3755167E-07 5 0.1374183E-07 6 0.1361455E-07 7 0.5080118E-08 8 0.4586620E-10 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3539616E-15 1 0.5270337E-11 2 0.5533953E-10 3 0.7921923E-10 4 0.3201747E-10 5 0.4547953E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2040303E-11 1 0.7066825E-11 2 0.2178735E-10 3 0.7309419E-10 4 0.9923629E-10 5 0.3046930E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3766491E-16 1 0.3910971E-10 2 0.8217342E-10 3 0.1874338E-09 4 0.3865179E-09 5 0.1539843E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4199359E-16 1 0.5043942E-10 2 0.1167151E-09 3 0.3279842E-09 4 0.9846887E-09 5 0.8352415E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.4455109E-10 1 0.5782699E-09 2 0.3969287E-09 3 0.4456962E-09 4 0.1317326E-08 5 0.5636048E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.4860798E-17 1 0.4012941E-10 2 0.1060362E-08 3 0.3019145E-09 4 0.3020889E-08 5 0.1978617E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1208787E-16 1 0.4134125E-08 2 0.8499045E-09 3 0.1838733E-08 4 0.1248257E-08 5 0.2306197E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1188718E-10 1 0.3634454E-08 2 0.1634749E-07 3 0.6461677E-08 4 0.2199684E-08 5 0.1969471E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1328138E-17 1 0.6196074E-07 2 0.6700053E-07 3 0.2461837E-07 4 0.5924406E-08 5 0.7711530E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.5197688E-17 1 0.1760912E-06 2 0.8636339E-07 3 0.1303308E-07 4 0.2324257E-08 5 0.3145481E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.3694703E-06 1 0.2839708E-06 2 0.7200883E-08 3 0.8627478E-08 4 0.1046345E-07 5 0.9218491E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3155161E-17 1 0.5409926E-06 2 0.9512934E-07 3 0.3934265E-08 4 0.3635029E-08 5 0.4181068E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.4115327E-16 1 0.9746957E-07 2 0.2709400E-07 3 0.3551499E-08 4 0.6701212E-08 5 0.1376662E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2336283E-09 1 0.1675821E-06 2 0.2381472E-07 3 0.2040635E-08 4 0.2484160E-08 5 0.3395684E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.9286318E-18 1 0.1068706E-07 2 0.7278085E-08 3 0.2639415E-08 4 0.5765879E-08 5 0.9499667E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.6512282E-17 1 0.3522378E-10 2 0.3498624E-08 3 0.1568841E-08 4 0.2078444E-07 5 0.2008429E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.4585235E-08 1 0.4121482E-08 2 0.6042795E-09 3 0.4001689E-08 4 0.6266945E-08 5 0.9939907E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.7403096E-16 1 0.3915689E-08 2 0.1263175E-08 3 0.6157147E-09 4 0.4521947E-08 5 0.3876884E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.6940805E-15 1 0.1248600E-09 2 0.3558559E-09 3 0.4236597E-09 4 0.6936041E-09 5 0.5405475E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1398867E-11 1 0.8629551E-02 2 0.1512416E-01 3 0.1192724E-01 4 0.9618061E-03 5 0.6961706E-05 6 0.3509985E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1343069E-13 1 0.2331504E-01 2 0.6296688E-01 3 0.1141810E-01 4 0.5397548E-03 5 0.1522601E-04 6 0.1789199E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6473244E-01 1 0.2854150E+00 2 0.4047536E-01 3 0.2325045E+00 4 0.3329367E-01 5 0.3628462E-03 6 0.3624052E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.4698170E-12 1 0.3309006E-05 2 0.2126303E-04 3 0.7835967E-05 4 0.7563325E-06 5 0.1388731E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.7051463E-06 1 0.2551090E-03 2 0.4057824E-03 3 0.4558171E-04 4 0.2049854E-05 5 0.3710249E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1206618E-12 1 0.1964809E-02 2 0.6391412E-02 3 0.1461642E-02 4 0.3244903E-04 5 0.3003393E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.7368237E-14 1 0.3351392E-02 2 0.1536703E-01 3 0.3251863E-02 4 0.1035174E-03 5 0.1235444E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2643069E-01 1 0.3153533E-01 2 0.8049749E-02 3 0.1038628E-01 4 0.1125529E-02 5 0.6953444E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2320196E-14 1 0.7522628E-02 2 0.1122847E-01 3 0.2050516E-02 4 0.3250521E-04 5 0.7121141E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.6854136E-12 1 0.1800005E-02 2 0.1851311E-02 3 0.3976630E-03 4 0.9853273E-05 5 0.1435165E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1041730E-06 1 0.8530501E-08 2 0.8775203E-07 3 0.3990960E-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 0.1885538E-16 1 0.3461333E-08 2 0.8174461E-07 3 0.6946653E-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 0.5315145E-15 1 0.2451159E-07 2 0.1051834E-06 3 0.1700612E-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 0.2136524E-07 1 0.2044057E-06 2 0.2661799E-06 3 0.4438674E-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 0.1996536E-15 1 0.3450643E-05 2 0.4050370E-05 3 0.6384948E-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 0 0 0.1273164E-16 1 0.1927885E-04 2 0.1666928E-04 3 0.1233391E-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 1 0 0.1430539E-03 1 0.1398450E-03 2 0.9815355E-05 3 0.8596796E-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 0.7353520E-17 1 0.5833372E-04 2 0.1843040E-04 3 0.7400936E-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 0.3907718E-15 1 0.5539403E-05 2 0.3173523E-05 3 0.2812287E-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 4 0 0.3901695E-07 1 0.1558366E-06 2 0.3897168E-06 3 0.9517292E-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 5 0 0.2650694E-16 1 0.1405308E-05 2 0.2892490E-06 3 0.2667211E-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 sum of the probabilities = 0.9979968 average vibrational energy (ev) = 0.473301 average rotational energy (ev) = 0.030516 average diffraction energy (ev) = 0.030115 the reaction probability = 0.2003154D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40419651D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1885088E+00 0.2496782E-01 0.8360735E-01 1 0.7803490E+00 0.4607842E-01 0.3184248E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.9281534E-03 0 37 1 0 0.3458580E-02 0 43 1 1 0.6173352E-01 0 21 3 -3 0.8258501E-04 0 26 3 -2 0.4444686E-03 0 32 3 -1 0.4315934E-03 0 38 3 0 0.8032409E-02 0 44 3 1 0.7029902E-01 0 49 3 2 0.1030479E-01 0 54 3 3 0.1454667E-02 0 13 5 -5 0.1560094E-05 0 17 5 -4 0.4615004E-05 0 22 5 -3 0.2907664E-04 0 27 5 -2 0.2671615E-03 0 33 5 -1 0.6548783E-03 0 39 5 0 0.1851733E-02 0 45 5 1 0.2266592E-01 0 50 5 2 0.3871036E-02 0 55 5 3 0.1756052E-03 0 59 5 4 0.1136777E-03 0 63 5 5 0.4926959E-04 0 7 7 -7 0.6788488E-07 0 10 7 -6 0.6738784E-07 0 14 7 -5 0.1377557E-06 0 18 7 -4 0.1734365E-05 0 23 7 -3 0.1846031E-04 0 28 7 -2 0.1058136E-03 0 34 7 -1 0.2483382E-03 0 40 7 0 0.7197755E-04 0 46 7 1 0.9907445E-03 0 51 7 2 0.7707713E-04 0 56 7 3 0.7400139E-04 0 60 7 4 0.4249500E-04 0 64 7 5 0.5615368E-05 0 67 7 6 0.1838132E-05 0 70 7 7 0.1036182E-05 0 3 9 -9 0.4856678E-09 0 5 9 -8 0.1450368E-08 0 8 9 -7 0.4031035E-08 0 11 9 -6 0.5505237E-08 0 15 9 -5 0.1667948E-07 0 19 9 -4 0.1268132E-07 0 24 9 -3 0.5308831E-07 0 29 9 -2 0.1961614E-06 0 35 9 -1 0.7772104E-06 0 41 9 0 0.1145534E-05 0 47 9 1 0.9065577E-05 0 52 9 2 0.2024176E-05 0 57 9 3 0.1095566E-05 0 61 9 4 0.4611159E-06 0 65 9 5 0.7651921E-07 0 68 9 6 0.3398890E-07 0 71 9 7 0.6634091E-07 0 73 9 8 0.1493233E-07 0 75 9 9 0.6353573E-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 0.4321728E-01 1 37 1 0 0.7485591E-01 1 43 1 1 0.4791956E+00 1 21 3 -3 0.2577958E-03 1 26 3 -2 0.3322529E-02 1 32 3 -1 0.1569079E-01 1 38 3 0 0.2278739E-01 1 44 3 1 0.9365708E-01 1 49 3 2 0.3533210E-01 1 54 3 3 0.8649041E-02 1 13 5 -5 0.3497146E-06 1 17 5 -4 0.3892462E-06 1 22 5 -3 0.9711010E-06 1 27 5 -2 0.2478076E-04 1 33 5 -1 0.1611103E-03 1 39 5 0 0.2282436E-03 1 45 5 1 0.1828036E-02 1 50 5 2 0.1030500E-02 1 55 5 3 0.1009607E-03 1 59 5 4 0.5873621E-05 1 63 5 5 0.2267616E-05 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 0.7807878E-10 1 0.1111029E-04 2 0.1222969E-03 3 0.4575601E-03 4 0.2777938E-03 5 0.5761521E-04 6 0.9817992E-06 7 0.7507875E-06 8 0.3962772E-07 9 0.4869519E-08 v, j, mj = 0 1 0 0 0.2011560E-11 1 0.1034679E-02 2 0.1503189E-02 3 0.5248126E-03 4 0.3503223E-03 5 0.4440090E-04 6 0.1139834E-05 7 0.2410547E-07 8 0.1103359E-07 9 0.1003684E-08 v, j, mj = 0 1 1 0 0.9124029E-02 1 0.3112709E-01 2 0.1618701E-01 3 0.4241221E-02 4 0.1007068E-02 5 0.4330993E-04 6 0.3591010E-05 7 0.1737777E-06 8 0.3134647E-07 9 0.5571007E-08 v, j, mj = 0 3 -3 0 0.3755535E-10 1 0.8695110E-06 2 0.1453348E-04 3 0.3451288E-04 4 0.2143461E-04 5 0.9758290E-05 6 0.1394557E-05 7 0.7176308E-07 8 0.7670607E-08 9 0.2205961E-08 v, j, mj = 0 3 -2 0 0.1199181E-06 1 0.8899876E-05 2 0.1068203E-03 3 0.1857886E-03 4 0.1163486E-03 5 0.2489706E-04 6 0.1531738E-05 7 0.5205465E-07 8 0.9200852E-08 9 0.1217049E-08 v, j, mj = 0 3 -1 0 0.3945431E-10 1 0.5136062E-04 2 0.9372525E-04 3 0.1418009E-03 4 0.1108961E-03 5 0.3193041E-04 6 0.1808504E-05 7 0.6435685E-07 8 0.6161277E-08 9 0.1126889E-08 v, j, mj = 0 3 0 0 0.5111908E-12 1 0.2664560E-02 2 0.3734081E-02 3 0.9872359E-03 4 0.5292078E-03 5 0.1123721E-03 6 0.4859098E-05 7 0.8399383E-07 8 0.7899192E-08 9 0.1258921E-08 v, j, mj = 0 3 1 0 0.9391795E-02 1 0.3250554E-01 2 0.1917177E-01 3 0.6876758E-02 4 0.2101653E-02 5 0.2432612E-03 6 0.7917549E-05 7 0.3252139E-06 8 0.5618908E-08 9 0.8031146E-09 v, j, mj = 0 3 2 0 0.1515157E-11 1 0.2272175E-02 2 0.3362840E-02 3 0.2665387E-02 4 0.1729676E-02 5 0.2634879E-03 6 0.1106421E-04 7 0.1403947E-06 8 0.1525551E-07 9 0.1177693E-08 v, j, mj = 0 3 3 0 0.9585408E-10 1 0.3557045E-04 2 0.4621596E-03 3 0.5700272E-03 4 0.3025918E-03 5 0.8062497E-04 6 0.3334181E-05 7 0.2936821E-06 8 0.5979096E-07 9 0.5380459E-08 v, j, mj = 0 5 -5 0 0.2598072E-07 1 0.7065457E-07 2 0.3565713E-06 3 0.1701383E-06 4 0.5544936E-06 5 0.2609933E-06 6 0.9585232E-07 7 0.1686611E-07 8 0.6331248E-08 9 0.2212411E-08 v, j, mj = 0 5 -4 0 0.2156437E-12 1 0.9847236E-06 2 0.1476536E-05 3 0.4542478E-06 4 0.1340782E-05 5 0.2821422E-06 6 0.5114912E-07 7 0.1306436E-07 8 0.9061449E-08 9 0.3296623E-08 v, j, mj = 0 5 -3 0 0.4712373E-12 1 0.4330851E-05 2 0.1471233E-04 3 0.4901619E-05 4 0.3807653E-05 5 0.1132422E-05 6 0.1744543E-06 7 0.1164020E-07 8 0.3173044E-08 9 0.2500252E-08 v, j, mj = 0 5 -2 0 0.1288505E-07 1 0.1708881E-04 2 0.1305009E-03 3 0.7407650E-04 4 0.3756562E-04 5 0.7505613E-05 6 0.3981554E-06 7 0.1005511E-07 8 0.1744202E-08 9 0.1231884E-08 v, j, mj = 0 5 -1 0 0.3942205E-11 1 0.1098254E-03 2 0.2841645E-03 3 0.2043913E-03 4 0.4917491E-04 5 0.6734455E-05 6 0.5797485E-06 7 0.3931229E-08 8 0.1653792E-08 9 0.2405471E-08 v, j, mj = 0 5 0 0 0.3723895E-14 1 0.4325331E-03 2 0.8463156E-03 3 0.3823181E-03 4 0.1445434E-03 5 0.4366046E-04 6 0.2338782E-05 7 0.2160380E-07 8 0.1063401E-08 9 0.8566101E-09 v, j, mj = 0 5 1 0 0.2609614E-02 1 0.8577239E-02 2 0.6400325E-02 3 0.3628581E-02 4 0.1272653E-02 5 0.1720294E-03 6 0.5454557E-05 7 0.1281122E-07 8 0.6000702E-08 9 0.1165102E-08 v, j, mj = 0 5 2 0 0.1036209E-12 1 0.1089533E-02 2 0.1642244E-02 3 0.6032533E-03 4 0.4284246E-03 5 0.1029700E-03 6 0.4574470E-05 7 0.3246324E-07 8 0.3100493E-08 9 0.1328788E-08 v, j, mj = 0 5 3 0 0.1071068E-10 1 0.1682826E-04 2 0.3059698E-04 3 0.7145701E-04 4 0.3839415E-04 5 0.1720053E-04 6 0.1103281E-05 7 0.1759936E-07 8 0.6381535E-08 9 0.9728253E-09 v, j, mj = 0 5 4 0 0.6178201E-08 1 0.8405118E-05 2 0.3837194E-04 3 0.3779457E-04 4 0.2658181E-04 5 0.2401428E-05 6 0.7665628E-07 7 0.3304752E-07 8 0.3080979E-08 9 0.3900323E-08 v, j, mj = 0 5 5 0 0.1395364E-10 1 0.4930146E-06 2 0.1004601E-04 3 0.1521966E-04 4 0.1197529E-04 5 0.9033208E-05 6 0.2313369E-05 7 0.1818144E-06 8 0.5052395E-08 9 0.2164186E-08 v, j, mj = 0 7 -7 0 0.4237324E-12 1 0.2575802E-08 2 0.2619291E-07 3 0.2538492E-07 4 0.8365007E-08 5 0.9971123E-09 6 0.1837491E-08 7 0.1965617E-08 8 0.5656049E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.5232900E-13 1 0.1503311E-07 2 0.2808261E-08 3 0.1244663E-07 4 0.1081130E-07 5 0.1137681E-07 6 0.8092883E-08 7 0.4575813E-08 8 0.2242975E-08 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1958151E-07 1 0.2292192E-09 2 0.1639983E-07 3 0.5714668E-07 4 0.2131431E-07 5 0.9827934E-08 6 0.5815401E-08 7 0.4844590E-08 8 0.2596250E-08 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5135015E-13 1 0.1364262E-06 2 0.1063329E-05 3 0.4644876E-06 4 0.5172827E-07 5 0.8649360E-08 6 0.3511555E-08 7 0.3489257E-08 8 0.2743109E-08 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2377244E-12 1 0.1316766E-05 2 0.1231992E-04 3 0.4304574E-05 4 0.4027916E-06 5 0.1039027E-06 6 0.5295312E-08 7 0.4116519E-08 8 0.2937974E-08 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8717277E-08 1 0.1317255E-04 2 0.6885115E-04 3 0.1930737E-04 4 0.4082819E-05 5 0.3795913E-06 6 0.4948408E-08 7 0.2972809E-08 8 0.3459371E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1525150E-12 1 0.6862672E-04 2 0.1318385E-03 3 0.3909714E-04 4 0.8503760E-05 5 0.2588032E-06 6 0.4513234E-08 7 0.2702758E-08 8 0.6026159E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5975956E-14 1 0.3190825E-04 2 0.3088624E-04 3 0.6605129E-05 4 0.1832021E-05 5 0.7036054E-06 6 0.3890421E-07 7 0.1207623E-08 8 0.2195694E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6415054E-04 1 0.2675344E-03 2 0.3741907E-03 3 0.2445132E-03 4 0.3764002E-04 5 0.2668806E-05 6 0.3832282E-07 7 0.1736859E-08 8 0.6702415E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3461760E-13 1 0.1478739E-05 2 0.5399262E-04 3 0.1283339E-04 4 0.7050225E-05 5 0.1659211E-05 6 0.5793069E-07 7 0.2470861E-08 8 0.2544181E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1449179E-12 1 0.4870861E-04 2 0.2004455E-04 3 0.4071745E-05 4 0.8401197E-06 5 0.2997482E-06 6 0.2387014E-07 7 0.3270158E-08 8 0.9484639E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1853246E-07 1 0.5510053E-05 2 0.2569073E-04 3 0.8557314E-05 4 0.2527694E-05 5 0.1757258E-06 6 0.9285287E-08 7 0.3224204E-08 8 0.2439780E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1369701E-13 1 0.3281941E-07 2 0.1888420E-05 3 0.2015432E-05 4 0.1519777E-05 5 0.1180623E-06 6 0.2610345E-07 7 0.6735065E-08 8 0.8019435E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.8059066E-13 1 0.5905643E-07 2 0.1880270E-06 3 0.6395822E-06 4 0.6066795E-06 5 0.3075702E-06 6 0.1939093E-07 7 0.1148437E-07 8 0.6341662E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.8047161E-07 1 0.2265793E-06 2 0.9580794E-07 3 0.4390245E-06 4 0.1229084E-06 5 0.4930804E-07 6 0.1229886E-07 7 0.7468110E-08 8 0.2314919E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1029589E-13 1 0.2493693E-10 2 0.8450830E-10 3 0.1655424E-09 4 0.1142938E-09 5 0.7047139E-10 6 0.2590460E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.7484661E-11 1 0.4807263E-10 2 0.9434881E-10 3 0.2636594E-09 4 0.2175044E-09 5 0.7452008E-09 6 0.7409756E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.4521264E-15 1 0.8940196E-10 2 0.1408359E-09 3 0.4087655E-09 4 0.4414612E-09 5 0.2104970E-08 6 0.8455991E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4047009E-16 1 0.1145678E-09 2 0.3666941E-09 3 0.4324091E-09 4 0.3681721E-09 5 0.3996915E-08 6 0.2264793E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1567942E-09 1 0.3205694E-08 2 0.1403077E-08 3 0.1000232E-08 4 0.4551975E-09 5 0.8446115E-08 6 0.2012376E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.4877040E-16 1 0.1590295E-08 2 0.3065261E-08 3 0.1717814E-08 4 0.1701538E-08 5 0.4137052E-08 6 0.4693555E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1047912E-14 1 0.1101899E-07 2 0.2958215E-07 3 0.7263167E-08 4 0.1266766E-08 5 0.3586706E-08 6 0.3705352E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1664124E-09 1 0.4592788E-07 2 0.1307981E-06 3 0.7594878E-08 4 0.6524327E-08 5 0.4475492E-08 6 0.6743279E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3768786E-15 1 0.3899386E-06 2 0.2901808E-06 3 0.6706299E-07 4 0.2135573E-07 5 0.7774879E-08 6 0.8973944E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3384624E-16 1 0.6052463E-06 2 0.3887668E-06 3 0.1308365E-06 4 0.1522896E-07 5 0.4364168E-08 6 0.1091133E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.5766356E-06 1 0.5101543E-05 2 0.3175316E-05 3 0.1983518E-06 4 0.4300642E-08 5 0.7799668E-08 6 0.1630541E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1290107E-15 1 0.1263075E-05 2 0.6019775E-06 3 0.1449022E-06 4 0.7753015E-08 5 0.5972519E-08 6 0.4962358E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1509312E-15 1 0.5739396E-06 2 0.4466388E-06 3 0.4919494E-07 4 0.1210750E-07 5 0.1129102E-07 6 0.2394096E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1149908E-08 1 0.2741623E-06 2 0.1383268E-06 3 0.3460383E-07 4 0.5878846E-08 5 0.6361274E-08 6 0.6329869E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.4149142E-16 1 0.1153821E-07 2 0.4527703E-07 3 0.2457804E-08 4 0.4992646E-08 5 0.1117390E-07 6 0.1079622E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1447409E-15 1 0.3250322E-09 2 0.3627569E-08 3 0.1466142E-08 4 0.5270162E-08 5 0.2223975E-07 6 0.1060247E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1297665E-07 1 0.6174603E-08 2 0.3384357E-08 3 0.1954146E-08 4 0.3493222E-08 5 0.3660604E-07 6 0.1751887E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.5853158E-14 1 0.4007839E-08 2 0.6267131E-09 3 0.9013843E-09 4 0.2305712E-08 5 0.6860135E-08 6 0.2305362E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.4500196E-14 1 0.5042890E-09 2 0.1229122E-08 3 0.1184878E-08 4 0.1075600E-08 5 0.1936206E-08 6 0.4234729E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1589873E-11 1 0.2078741E-01 2 0.5099985E-03 3 0.1559445E-01 4 0.6095896E-02 5 0.2284414E-03 6 0.1086396E-05 7 0.3791877E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3036674E-12 1 0.1178894E-01 2 0.3028403E-01 3 0.3041568E-01 4 0.2335428E-02 5 0.3073312E-04 6 0.1097588E-05 7 0.7238439E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6372684E-01 1 0.2237097E-01 2 0.1734474E+00 3 0.8746149E-01 4 0.1253888E+00 5 0.6775913E-02 6 0.2408767E-04 7 0.1821143E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.3207846E-11 1 0.2168827E-04 2 0.1417138E-03 3 0.8577438E-04 4 0.8111305E-05 5 0.4749099E-06 6 0.3312680E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1458615E-05 1 0.1059979E-02 2 0.1973226E-02 3 0.2804486E-03 4 0.5671233E-05 5 0.1709537E-05 6 0.3595255E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1399556E-11 1 0.6280741E-02 2 0.3961926E-02 3 0.4807259E-02 4 0.6360358E-03 5 0.4800654E-05 6 0.2788642E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5479173E-13 1 0.7349288E-02 2 0.6628836E-02 3 0.7967236E-02 4 0.8304687E-03 5 0.1149045E-04 6 0.7270526E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1028847E-01 1 0.2142098E-01 2 0.3513922E-01 3 0.1811455E-01 4 0.8447585E-02 5 0.2460119E-03 6 0.2766169E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2468077E-12 1 0.1975329E-01 2 0.1398500E-01 3 0.1266105E-02 4 0.3238171E-03 5 0.3856594E-05 6 0.3587388E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3670157E-11 1 0.1199488E-02 2 0.3056897E-02 3 0.3907862E-02 4 0.4805226E-03 5 0.4259245E-05 6 0.1198687E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.6633172E-08 1 0.7448034E-07 2 0.1819417E-06 3 0.6105299E-07 4 0.2560638E-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 0.8595053E-15 1 0.5588740E-08 2 0.7997148E-07 3 0.2065499E-06 4 0.9713601E-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 0.1175106E-13 1 0.5729726E-07 2 0.6103425E-06 3 0.1443324E-06 4 0.1591288E-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 0.8780995E-08 1 0.6451491E-05 2 0.1590287E-04 3 0.2144934E-05 4 0.2726811E-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 0.1644010E-13 1 0.6061039E-04 2 0.8748449E-04 3 0.1213680E-04 4 0.8785820E-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 0 0 0.2478749E-15 1 0.1360387E-03 2 0.8535989E-04 3 0.6308503E-05 4 0.5365734E-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 0.5719337E-03 1 0.8387543E-03 2 0.3742837E-03 3 0.4191895E-04 4 0.1144956E-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 0.1817493E-14 1 0.8246886E-03 2 0.2023401E-03 3 0.3200796E-05 4 0.2703121E-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 3 0 0.1436422E-13 1 0.5275656E-04 2 0.3960427E-04 3 0.8184565E-05 4 0.4152683E-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 0.2800992E-06 1 0.2565515E-05 2 0.2419155E-05 3 0.2427574E-06 4 0.3660950E-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 5 0 0.1999416E-13 1 0.1723438E-06 2 0.9818386E-06 3 0.9662982E-06 4 0.1471354E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9688578 average vibrational energy (ev) = 0.410311 average rotational energy (ev) = 0.041914 average diffraction energy (ev) = 0.041971 the reaction probability = 0.3114222D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39848223D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.2828756E+00 0.2287410E-01 0.8155986E-01 1 0.5302421E+00 0.5752077E-01 0.4414133E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.2252637E-02 0 37 1 0 0.7426381E-02 0 43 1 1 0.8967992E-01 0 21 3 -3 0.3075535E-03 0 26 3 -2 0.1374695E-02 0 32 3 -1 0.2585215E-02 0 38 3 0 0.1680103E-01 0 44 3 1 0.9371727E-01 0 49 3 2 0.2429478E-01 0 54 3 3 0.2830093E-02 0 13 5 -5 0.1238709E-03 0 17 5 -4 0.1874602E-03 0 22 5 -3 0.3249051E-03 0 27 5 -2 0.4646118E-03 0 33 5 -1 0.5539364E-03 0 39 5 0 0.3746815E-02 0 45 5 1 0.1801857E-01 0 50 5 2 0.1338071E-01 0 55 5 3 0.1361478E-02 0 59 5 4 0.2578039E-03 0 63 5 5 0.1926922E-03 0 7 7 -7 0.3391481E-05 0 10 7 -6 0.2137826E-05 0 14 7 -5 0.8246025E-05 0 18 7 -4 0.1887217E-04 0 23 7 -3 0.6748521E-04 0 28 7 -2 0.1982063E-03 0 34 7 -1 0.2174869E-03 0 40 7 0 0.1240965E-03 0 46 7 1 0.8304516E-03 0 51 7 2 0.1037080E-02 0 56 7 3 0.2457774E-03 0 60 7 4 0.6716098E-04 0 64 7 5 0.1694669E-04 0 67 7 6 0.7975510E-05 0 70 7 7 0.9159727E-05 0 3 9 -9 0.1952381E-08 0 5 9 -8 0.2632760E-08 0 8 9 -7 0.3062211E-08 0 11 9 -6 0.8678006E-08 0 15 9 -5 0.2305088E-07 0 19 9 -4 0.5927968E-07 0 24 9 -3 0.6864240E-06 0 29 9 -2 0.3453394E-05 0 35 9 -1 0.7316378E-05 0 41 9 0 0.1878928E-04 0 47 9 1 0.3572880E-04 0 52 9 2 0.5133385E-04 0 57 9 3 0.1734641E-04 0 61 9 4 0.3380534E-05 0 65 9 5 0.2978836E-06 0 68 9 6 0.7646960E-07 0 71 9 7 0.6672464E-07 0 73 9 8 0.4503216E-07 0 75 9 9 0.1545818E-07 0 1 11 -11 0.5860053E-12 0 2 11 -10 0.7076388E-12 0 4 11 -9 0.7920610E-11 0 6 11 -8 0.8507723E-11 0 9 11 -7 0.8218012E-11 0 12 11 -6 0.3635757E-10 0 16 11 -5 0.3416209E-10 0 20 11 -4 0.3698403E-10 0 25 11 -3 0.1239489E-10 0 30 11 -2 0.2020121E-09 0 36 11 -1 0.3471255E-09 0 42 11 0 0.5714329E-08 0 48 11 1 0.5036316E-08 0 53 11 2 0.5770453E-08 0 58 11 3 0.5207211E-09 0 62 11 4 0.4320268E-09 0 66 11 5 0.2398598E-09 0 69 11 6 0.4058273E-09 0 72 11 7 0.1424003E-08 0 74 11 8 0.7214569E-09 0 76 11 9 0.5506166E-10 0 77 11 10 0.1591452E-10 0 78 11 11 0.2362263E-11 1 31 1 -1 0.1948217E-01 1 37 1 0 0.4811145E-01 1 43 1 1 0.2620971E+00 1 21 3 -3 0.1536059E-02 1 26 3 -2 0.5189165E-02 1 32 3 -1 0.2497500E-01 1 38 3 0 0.1772562E-01 1 44 3 1 0.7810631E-01 1 49 3 2 0.5123167E-01 1 54 3 3 0.1109561E-01 1 13 5 -5 0.8817933E-06 1 17 5 -4 0.9027799E-06 1 22 5 -3 0.2132053E-04 1 27 5 -2 0.2528069E-03 1 33 5 -1 0.1082030E-02 1 39 5 0 0.1016619E-02 1 45 5 1 0.3787274E-02 1 50 5 2 0.3769125E-02 1 55 5 3 0.7250701E-03 1 59 5 4 0.3073114E-04 1 63 5 5 0.3124757E-05 1 7 7 -7 0.2584176E-10 1 10 7 -6 0.7515159E-10 1 14 7 -5 0.1459697E-07 1 18 7 -4 0.2741588E-08 1 23 7 -3 0.2844652E-08 1 28 7 -2 0.1471224E-07 1 34 7 -1 0.5016528E-07 1 40 7 0 0.7490818E-07 1 46 7 1 0.1564786E-05 1 51 7 2 0.2294412E-06 1 56 7 3 0.5263788E-07 1 60 7 4 0.9626507E-08 1 64 7 5 0.2799143E-07 1 67 7 6 0.5794339E-08 1 70 7 7 0.1154917E-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 0.0000000E+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 0.8549301E-09 1 0.3326727E-03 2 0.6080999E-03 3 0.5051348E-03 4 0.5793094E-03 5 0.2128515E-03 6 0.1084812E-04 7 0.3329726E-05 8 0.3849829E-06 9 0.5069584E-08 v, j, mj = 0 1 0 0 0.5838696E-10 1 0.2998499E-02 2 0.2767293E-02 3 0.5865672E-03 4 0.7516303E-03 5 0.2926622E-03 6 0.2926782E-04 7 0.4220463E-06 8 0.3697589E-07 9 0.1924414E-08 v, j, mj = 0 1 1 0 0.2146386E-01 1 0.4918131E-01 2 0.1180149E-01 3 0.4767247E-02 4 0.2002391E-02 5 0.4406712E-03 6 0.7440159E-05 7 0.1366655E-04 8 0.1780362E-05 9 0.7002869E-07 v, j, mj = 0 3 -3 0 0.4694920E-09 1 0.3632711E-04 2 0.1547586E-03 3 0.6199983E-04 4 0.2283800E-04 5 0.1266281E-04 6 0.1448141E-04 7 0.4125224E-05 8 0.3527694E-06 9 0.7319487E-08 v, j, mj = 0 3 -2 0 0.3261071E-05 1 0.8322505E-04 2 0.1098002E-02 3 0.1106145E-03 4 0.2181845E-04 5 0.5121363E-04 6 0.6460490E-05 7 0.7428081E-07 8 0.2352200E-07 9 0.1943940E-08 v, j, mj = 0 3 -1 0 0.1051688E-09 1 0.1179429E-02 2 0.1144087E-02 3 0.6612805E-04 4 0.9916801E-04 5 0.8137996E-04 6 0.1461465E-04 7 0.3558017E-06 8 0.4921067E-07 9 0.2371411E-08 v, j, mj = 0 3 0 0 0.4694264E-10 1 0.7285055E-02 2 0.6627254E-02 3 0.1659213E-02 4 0.8026829E-03 5 0.3647341E-03 6 0.6065775E-04 7 0.1422534E-05 8 0.1404547E-07 9 0.1621978E-08 v, j, mj = 0 3 1 0 0.2264166E-01 1 0.4400391E-01 2 0.1548656E-01 3 0.7419862E-02 4 0.3257848E-02 5 0.8367062E-03 6 0.7006825E-04 7 0.4762410E-06 8 0.1661220E-06 9 0.1262126E-07 v, j, mj = 0 3 2 0 0.6883176E-10 1 0.1193060E-01 2 0.6565171E-02 3 0.2452386E-02 4 0.2471323E-02 5 0.7764301E-03 6 0.9384686E-04 7 0.4958480E-05 8 0.6120981E-07 9 0.3432870E-08 v, j, mj = 0 3 3 0 0.8790756E-10 1 0.3934255E-03 2 0.1000932E-03 3 0.1242803E-02 4 0.6716969E-03 5 0.3207674E-03 6 0.9088400E-04 7 0.9408902E-05 8 0.9920480E-06 9 0.2173698E-07 v, j, mj = 0 5 -5 0 0.1838471E-04 1 0.6895838E-05 2 0.1498793E-04 3 0.1937836E-04 4 0.2369424E-04 5 0.2377485E-04 6 0.1427358E-04 7 0.2426806E-05 8 0.5282765E-07 9 0.1719117E-08 v, j, mj = 0 5 -4 0 0.2610889E-10 1 0.3874205E-04 2 0.9493553E-04 3 0.2632058E-04 4 0.1644682E-04 5 0.7998854E-05 6 0.2764797E-05 7 0.2394717E-06 8 0.7700987E-08 9 0.4318377E-08 v, j, mj = 0 5 -3 0 0.1689503E-10 1 0.1404544E-03 2 0.1178611E-03 3 0.5026925E-04 4 0.1127343E-04 5 0.3424780E-05 6 0.1376844E-05 7 0.2350377E-06 8 0.9073719E-08 9 0.1126461E-08 v, j, mj = 0 5 -2 0 0.7130378E-06 1 0.3446608E-04 2 0.3109515E-03 3 0.1090504E-03 4 0.4458842E-05 5 0.3769614E-05 6 0.1159635E-05 7 0.3980944E-07 8 0.1937069E-08 9 0.9828166E-09 v, j, mj = 0 5 -1 0 0.8734382E-11 1 0.1005512E-03 2 0.2832264E-03 3 0.1188028E-03 4 0.3849036E-04 5 0.9112363E-05 6 0.3667836E-05 7 0.8272628E-07 8 0.1694774E-08 9 0.9948498E-09 v, j, mj = 0 5 0 0 0.3673292E-11 1 0.1369774E-02 2 0.1366768E-02 3 0.7166560E-03 4 0.1969211E-03 5 0.7860605E-04 6 0.1759986E-04 7 0.4852071E-06 8 0.4477651E-08 9 0.6689749E-09 v, j, mj = 0 5 1 0 0.4239053E-02 1 0.6954272E-02 2 0.3050534E-02 3 0.2048717E-02 4 0.1317299E-02 5 0.3749307E-03 6 0.3329068E-04 7 0.4701113E-06 8 0.3886325E-08 9 0.1053795E-08 v, j, mj = 0 5 2 0 0.9457821E-11 1 0.6041020E-02 2 0.5329573E-02 3 0.1513455E-02 4 0.3266766E-03 5 0.1441426E-03 6 0.2497262E-04 7 0.8557889E-06 8 0.9087232E-08 9 0.3058222E-08 v, j, mj = 0 5 3 0 0.1232809E-11 1 0.3750914E-03 2 0.5070854E-03 3 0.3168090E-03 4 0.1399542E-03 5 0.1634721E-04 6 0.5875380E-05 7 0.3055338E-06 8 0.8072496E-08 9 0.1343091E-08 v, j, mj = 0 5 4 0 0.1768440E-05 1 0.3826173E-04 2 0.1374630E-03 3 0.1156621E-04 4 0.5887728E-04 5 0.8706700E-05 6 0.1010611E-05 7 0.1386421E-06 8 0.8201105E-08 9 0.3108133E-08 v, j, mj = 0 5 5 0 0.1671992E-09 1 0.8069148E-05 2 0.4422253E-04 3 0.1262053E-04 4 0.4307052E-04 5 0.6114765E-04 6 0.2090552E-04 7 0.2588548E-05 8 0.6619042E-07 9 0.1365749E-08 v, j, mj = 0 7 -7 0 0.6780800E-11 1 0.3289845E-06 2 0.3992714E-06 3 0.6191987E-06 4 0.1075532E-05 5 0.8676966E-06 6 0.9828830E-07 7 0.2052364E-08 8 0.4151090E-09 9 0.3463057E-10 v, j, mj = 0 7 -6 0 0.9618395E-12 1 0.3644415E-06 2 0.4642520E-06 3 0.3747957E-06 4 0.5090411E-06 5 0.3731654E-06 6 0.4496684E-07 7 0.5373766E-08 8 0.1747285E-08 9 0.4137351E-10 v, j, mj = 0 7 -5 0 0.3070462E-05 1 0.1238045E-05 2 0.2248443E-05 3 0.7963494E-06 4 0.7688166E-06 5 0.1094596E-06 6 0.1012564E-07 7 0.3211381E-08 8 0.9644473E-09 9 0.1471718E-09 v, j, mj = 0 7 -4 0 0.7312329E-13 1 0.1874331E-05 2 0.1151994E-04 3 0.4662956E-05 4 0.7389995E-06 5 0.6515850E-07 6 0.6454060E-08 7 0.3083541E-08 8 0.1041683E-08 9 0.2053523E-09 v, j, mj = 0 7 -3 0 0.4102727E-12 1 0.1177009E-04 2 0.4729089E-04 3 0.7653784E-05 4 0.6292148E-06 5 0.1301892E-06 6 0.8131382E-08 7 0.1690386E-08 8 0.1121689E-08 9 0.1040249E-09 v, j, mj = 0 7 -2 0 0.1240667E-06 1 0.4259510E-04 2 0.1480318E-03 3 0.5362905E-05 4 0.1823054E-05 5 0.2462625E-06 6 0.1977070E-07 7 0.1425260E-08 8 0.1648080E-08 9 0.2974925E-09 v, j, mj = 0 7 -1 0 0.6490670E-12 1 0.1068474E-03 2 0.9317265E-04 3 0.1084323E-04 4 0.6017661E-05 5 0.5702116E-06 6 0.3188701E-07 7 0.2120255E-08 8 0.1390816E-08 9 0.3814770E-09 v, j, mj = 0 7 0 0 0.2176632E-12 1 0.6344024E-05 2 0.2846716E-04 3 0.7718265E-04 4 0.1036960E-04 5 0.1468144E-05 6 0.2533278E-06 7 0.1016524E-07 8 0.1319831E-08 9 0.7296848E-10 v, j, mj = 0 7 1 0 0.8375469E-04 1 0.3623937E-03 2 0.1877845E-03 3 0.1096557E-03 4 0.7516252E-04 5 0.1124974E-04 6 0.4455150E-06 7 0.3866194E-08 8 0.1111173E-08 9 0.3406622E-09 v, j, mj = 0 7 2 0 0.3852009E-12 1 0.3444515E-03 2 0.4773549E-03 3 0.1958126E-03 4 0.1625885E-04 5 0.2867518E-05 6 0.3183593E-06 7 0.1471484E-07 8 0.1735732E-08 9 0.1932775E-09 v, j, mj = 0 7 3 0 0.8458359E-12 1 0.4932677E-04 2 0.1248323E-03 3 0.5330528E-04 4 0.1616400E-04 5 0.2034891E-05 6 0.1078928E-06 7 0.3405532E-08 8 0.2695643E-08 9 0.1200756E-09 v, j, mj = 0 7 4 0 0.3419307E-07 1 0.5553872E-05 2 0.4590686E-04 3 0.5941798E-05 4 0.7430694E-05 5 0.2218758E-05 6 0.6556322E-07 7 0.4568857E-08 8 0.4145484E-08 9 0.5219063E-09 v, j, mj = 0 7 5 0 0.4730575E-11 1 0.2500569E-05 2 0.2458700E-05 3 0.6186355E-05 4 0.4520219E-05 5 0.1201028E-05 6 0.6353783E-07 7 0.1087201E-07 8 0.4815955E-08 9 0.5863970E-09 v, j, mj = 0 7 6 0 0.6484779E-11 1 0.2308867E-06 2 0.6739419E-06 3 0.1038557E-05 4 0.3073247E-05 5 0.2626846E-05 6 0.3195941E-06 7 0.6612409E-08 8 0.4729345E-08 9 0.1088586E-08 v, j, mj = 0 7 7 0 0.2113326E-06 1 0.9315727E-06 2 0.1859402E-07 3 0.1218622E-05 4 0.3195969E-05 5 0.3161527E-05 6 0.4098183E-06 7 0.1051157E-07 8 0.1732027E-08 9 0.4710574E-10 v, j, mj = 0 9 -9 0 0.2357659E-13 1 0.1248156E-09 2 0.4611526E-09 3 0.7039703E-09 4 0.4066429E-09 5 0.1473702E-09 6 0.1084061E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2269184E-10 1 0.1857267E-09 2 0.6734521E-09 3 0.7113807E-10 4 0.3515582E-09 5 0.7704920E-09 6 0.5577016E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3835857E-14 1 0.6564724E-10 2 0.2710875E-09 3 0.3897767E-09 4 0.2601591E-09 5 0.7213307E-09 6 0.1354206E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.2198839E-14 1 0.1707834E-08 2 0.1170694E-08 3 0.1105766E-08 4 0.8851021E-09 5 0.1551424E-08 6 0.2257184E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.6549821E-09 1 0.2359262E-08 2 0.8258298E-08 3 0.3413518E-08 4 0.1550560E-08 5 0.2425609E-08 6 0.4388655E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.3749968E-15 1 0.5875044E-09 2 0.2666452E-07 3 0.2426759E-07 4 0.3698868E-08 5 0.1587278E-08 6 0.2473923E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1156226E-14 1 0.3099529E-07 2 0.4195129E-06 3 0.2149831E-06 4 0.1730880E-07 5 0.2395710E-08 6 0.1228134E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1607042E-10 1 0.5460590E-06 2 0.2172138E-05 3 0.6920642E-06 4 0.3806526E-07 5 0.2569514E-08 6 0.2482085E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.4453182E-14 1 0.2442675E-05 2 0.3767899E-05 3 0.1065383E-05 4 0.3350814E-07 5 0.5535406E-08 6 0.1377797E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1557865E-14 1 0.7413695E-05 2 0.9338402E-05 3 0.1983849E-05 4 0.4828189E-07 5 0.3151350E-08 6 0.1899945E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2710108E-05 1 0.2165741E-04 2 0.9287756E-05 3 0.1896124E-05 4 0.1579081E-06 5 0.1727418E-07 6 0.2220376E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2349395E-15 1 0.2419844E-04 2 0.2327197E-04 3 0.3697514E-05 4 0.1538897E-06 5 0.9784187E-08 6 0.2256900E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.7954881E-15 1 0.4856294E-05 2 0.1068712E-04 3 0.1674665E-05 4 0.1147958E-06 5 0.1112651E-07 6 0.2415660E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1373395E-08 1 0.5171257E-06 2 0.2272787E-05 3 0.5022372E-06 4 0.6931839E-07 5 0.1122194E-07 6 0.6470649E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3758454E-15 1 0.3710691E-07 2 0.1563552E-06 3 0.8259306E-07 4 0.1217995E-07 5 0.5591126E-08 6 0.4057268E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2241660E-15 1 0.9947688E-08 2 0.3154782E-07 3 0.1881411E-07 4 0.5317409E-08 5 0.5743909E-08 6 0.5098669E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1400653E-07 1 0.6917505E-08 2 0.5675735E-08 3 0.5194104E-08 4 0.9869212E-08 5 0.1333162E-07 6 0.1172994E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3551729E-13 1 0.1803794E-07 2 0.1537617E-07 3 0.1260307E-08 4 0.9804635E-09 5 0.4089625E-08 6 0.5287625E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3353240E-13 1 0.2004830E-08 2 0.5545816E-08 3 0.4514388E-08 4 0.1420072E-08 5 0.1004287E-08 6 0.9687545E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.3015965E-13 1 0.4680548E-12 2 0.8779083E-13 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 0.9333863E-17 1 0.3193814E-12 2 0.3882481E-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 0.1003749E-16 1 0.5260643E-11 2 0.2659957E-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 0.1810344E-13 1 0.5860052E-11 2 0.2629567E-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 0.2909576E-16 1 0.5470946E-11 2 0.2747037E-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 0.1684295E-16 1 0.2970013E-10 2 0.6657425E-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 0.1503915E-10 1 0.1045107E-10 2 0.8671863E-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 0.3328859E-16 1 0.2335648E-10 2 0.1362752E-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 0.4247778E-17 1 0.1136330E-10 2 0.1031589E-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 -2 0 0.2807627E-10 1 0.1267902E-09 2 0.4714560E-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 -1 0 0.3290751E-17 1 0.1359552E-09 2 0.2111703E-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 0.3958646E-17 1 0.4735702E-08 2 0.9786269E-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 0.1447833E-08 1 0.3067518E-08 2 0.5209656E-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 0.1305638E-16 1 0.4479089E-08 2 0.1291364E-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 = 0 11 3 0 0.2281977E-16 1 0.4632045E-09 2 0.5751661E-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 4 0 0.6337023E-11 1 0.3131492E-09 2 0.1125405E-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 5 0 0.2477666E-16 1 0.1830823E-09 2 0.5677744E-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 0.2581728E-16 1 0.3639005E-09 2 0.4192678E-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 0.2952101E-09 1 0.1124479E-08 2 0.4313541E-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 0.5771971E-16 1 0.7105290E-09 2 0.1092785E-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 0.8254125E-16 1 0.3771613E-10 2 0.1734544E-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 10 0 0.7904742E-12 1 0.7814428E-11 2 0.7309621E-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 11 0 0.4792936E-17 1 0.1833397E-11 2 0.5288608E-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 0.2317109E-09 1 0.4199697E-02 2 0.4866912E-02 3 0.3101350E-02 4 0.6032987E-02 5 0.1254304E-02 6 0.2684438E-04 7 0.7623349E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.6900194E-11 1 0.3071478E-02 2 0.2440120E-01 3 0.1126128E-01 4 0.9116104E-02 5 0.2565170E-03 6 0.4824702E-05 7 0.4209585E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1614239E-01 1 0.9211438E-02 2 0.7657440E-01 3 0.3063485E-01 4 0.9859372E-01 5 0.3039040E-01 6 0.5495122E-03 7 0.3966699E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.6471981E-11 1 0.1655422E-03 2 0.5153821E-03 3 0.6850243E-03 4 0.1669906E-03 5 0.3020239E-05 6 0.9831646E-07 7 0.1229815E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5224911E-05 1 0.2481587E-02 2 0.2181499E-02 3 0.3900383E-03 4 0.1251296E-03 5 0.5595154E-05 6 0.8898082E-07 7 0.1496905E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2373188E-10 1 0.1978758E-01 2 0.3107494E-02 3 0.1305656E-02 4 0.7112790E-03 5 0.6224024E-04 6 0.7474144E-06 7 0.3535729E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3003814E-11 1 0.6334204E-02 2 0.6072786E-02 3 0.1943364E-02 4 0.3269626E-02 5 0.1045551E-03 6 0.1077657E-05 7 0.3087455E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1700956E-01 1 0.2805227E-01 2 0.6091090E-02 3 0.8020514E-02 4 0.1666294E-01 5 0.2254254E-02 6 0.1567262E-04 7 0.1894276E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1022452E-11 1 0.6049566E-02 2 0.3431008E-01 3 0.1042304E-01 4 0.4172032E-03 5 0.3151059E-04 6 0.2695112E-06 7 0.1338485E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.4111407E-10 1 0.3554984E-02 2 0.1732062E-02 3 0.3519635E-02 4 0.2183441E-02 5 0.1049260E-03 6 0.5631566E-06 7 0.9487746E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4076665E-06 1 0.1360562E-06 2 0.6503818E-07 3 0.1948277E-06 4 0.6912662E-07 5 0.9078140E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.4864059E-14 1 0.1482114E-06 2 0.2716118E-06 3 0.3492294E-06 4 0.1010249E-06 5 0.3270247E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.4108050E-14 1 0.4083822E-05 2 0.1395174E-04 3 0.2945230E-05 4 0.2766933E-06 5 0.6304823E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.6869758E-07 1 0.7615972E-04 2 0.1599425E-03 3 0.1556700E-04 4 0.1014460E-05 5 0.5454885E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.5526982E-13 1 0.6463720E-03 2 0.4202050E-03 3 0.1446007E-04 4 0.9621624E-06 5 0.3077478E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.2117303E-13 1 0.5459073E-03 2 0.4520156E-03 3 0.1406707E-04 4 0.4460004E-05 5 0.1689424E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1769267E-02 1 0.1743672E-02 2 0.2185332E-03 3 0.3436400E-04 4 0.2116667E-04 5 0.2714477E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1435962E-13 1 0.2047308E-02 2 0.1509151E-02 3 0.2110372E-03 4 0.1508418E-05 5 0.1204436E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.2052478E-12 1 0.5107183E-03 2 0.1718152E-03 3 0.3918197E-04 4 0.3248520E-05 5 0.1061661E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3197639E-06 1 0.1136522E-04 2 0.1629046E-04 3 0.2209752E-05 4 0.4859241E-06 5 0.6002097E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.1043161E-11 1 0.3439472E-06 2 0.1320676E-05 3 0.9673762E-06 4 0.4245623E-06 5 0.6819441E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1114975E-15 1 0.2565408E-10 2 0.1875717E-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 0.2105053E-16 1 0.6956305E-10 2 0.5588522E-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 0.3669163E-08 1 0.1092461E-07 2 0.3191662E-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 -4 0 0.6314935E-16 1 0.2673985E-08 2 0.6760294E-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 -3 0 0.1692342E-16 1 0.2762053E-08 2 0.8259938E-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 0.3638703E-09 1 0.1428790E-07 2 0.6046943E-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 -1 0 0.4149191E-15 1 0.4972541E-07 2 0.4398753E-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 0.5120799E-16 1 0.7442707E-07 2 0.4811125E-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 0.1268358E-05 1 0.2963201E-06 2 0.1083402E-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 0.1251463E-16 1 0.2282193E-06 2 0.1221852E-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 3 0 0.1511397E-15 1 0.5246972E-07 2 0.1681553E-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 4 0 0.3087971E-08 1 0.6479526E-08 2 0.5900971E-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 0.8474128E-16 1 0.2790404E-07 2 0.8739122E-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 0.6810327E-17 1 0.5709857E-08 2 0.8448188E-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 0.1633021E-08 1 0.9846874E-08 2 0.6927612E-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 sum of the probabilities = 0.8131177 average vibrational energy (ev) = 0.332204 average rotational energy (ev) = 0.057159 average diffraction energy (ev) = 0.045468 the reaction probability = 0.1868823D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.39276794D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.2371621E+00 0.2629015E-01 0.9375002E-01 1 0.3459589E+00 0.4848479E-01 0.5582892E-01 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.4169553E-02 0 37 1 0 0.1325200E-01 0 43 1 1 0.5603567E-01 0 21 3 -3 0.1655651E-02 0 26 3 -2 0.1781613E-02 0 32 3 -1 0.2957629E-02 0 38 3 0 0.2523242E-01 0 44 3 1 0.5240163E-01 0 49 3 2 0.2805024E-01 0 54 3 3 0.4933916E-02 0 13 5 -5 0.8124390E-03 0 17 5 -4 0.1208496E-02 0 22 5 -3 0.4437825E-03 0 27 5 -2 0.6239863E-03 0 33 5 -1 0.6001627E-03 0 39 5 0 0.4921569E-02 0 45 5 1 0.8185003E-02 0 50 5 2 0.1626880E-01 0 55 5 3 0.4755186E-02 0 59 5 4 0.2067796E-02 0 63 5 5 0.8148587E-03 0 7 7 -7 0.1463679E-03 0 10 7 -6 0.6830736E-04 0 14 7 -5 0.1436542E-03 0 18 7 -4 0.6885404E-04 0 23 7 -3 0.1368289E-03 0 28 7 -2 0.2367990E-03 0 34 7 -1 0.2201247E-03 0 40 7 0 0.3210670E-03 0 46 7 1 0.6879708E-03 0 51 7 2 0.1763660E-02 0 56 7 3 0.1078799E-02 0 60 7 4 0.4187749E-03 0 64 7 5 0.1190771E-03 0 67 7 6 0.2437300E-04 0 70 7 7 0.9119689E-04 0 3 9 -9 0.6900442E-07 0 5 9 -8 0.2341019E-07 0 8 9 -7 0.6785669E-07 0 11 9 -6 0.3190016E-07 0 15 9 -5 0.1281295E-06 0 19 9 -4 0.1197478E-05 0 24 9 -3 0.7657670E-05 0 29 9 -2 0.2389853E-04 0 35 9 -1 0.3661036E-04 0 41 9 0 0.6597746E-04 0 47 9 1 0.9246387E-04 0 52 9 2 0.1224647E-03 0 57 9 3 0.8185275E-04 0 61 9 4 0.2710966E-04 0 65 9 5 0.3469649E-05 0 68 9 6 0.4124897E-06 0 71 9 7 0.1474699E-06 0 73 9 8 0.8783887E-07 0 75 9 9 0.1224719E-06 0 1 11 -11 0.3054171E-10 0 2 11 -10 0.6284452E-10 0 4 11 -9 0.6148979E-10 0 6 11 -8 0.1066691E-09 0 9 11 -7 0.1996567E-09 0 12 11 -6 0.2955371E-09 0 16 11 -5 0.6446251E-09 0 20 11 -4 0.8822468E-09 0 25 11 -3 0.1825099E-08 0 30 11 -2 0.1932185E-08 0 36 11 -1 0.3831987E-08 0 42 11 0 0.5970198E-08 0 48 11 1 0.1451872E-07 0 53 11 2 0.7741180E-08 0 58 11 3 0.6681737E-08 0 62 11 4 0.3264280E-08 0 66 11 5 0.3046743E-08 0 69 11 6 0.1436179E-08 0 72 11 7 0.1311151E-08 0 74 11 8 0.4257834E-09 0 76 11 9 0.2572742E-09 0 77 11 10 0.3106118E-09 0 78 11 11 0.9013650E-10 1 31 1 -1 0.1990498E-01 1 37 1 0 0.3197929E-01 1 43 1 1 0.1290381E+00 1 21 3 -3 0.3307759E-02 1 26 3 -2 0.7242118E-02 1 32 3 -1 0.1932767E-01 1 38 3 0 0.9472356E-02 1 44 3 1 0.4126523E-01 1 49 3 2 0.4745455E-01 1 54 3 3 0.1741846E-01 1 13 5 -5 0.2253433E-04 1 17 5 -4 0.1406150E-04 1 22 5 -3 0.1276225E-03 1 27 5 -2 0.1402437E-02 1 33 5 -1 0.3220636E-02 1 39 5 0 0.2928717E-02 1 45 5 1 0.4475016E-02 1 50 5 2 0.5497951E-02 1 55 5 3 0.1672558E-02 1 59 5 4 0.1372490E-03 1 63 5 5 0.3083644E-04 1 7 7 -7 0.3654374E-08 1 10 7 -6 0.2607365E-08 1 14 7 -5 0.8950182E-08 1 18 7 -4 0.1606676E-07 1 23 7 -3 0.4071033E-07 1 28 7 -2 0.2687696E-06 1 34 7 -1 0.1100709E-05 1 40 7 0 0.2276613E-05 1 46 7 1 0.9326394E-05 1 51 7 2 0.4209104E-05 1 56 7 3 0.1266247E-05 1 60 7 4 0.1754951E-06 1 64 7 5 0.7918321E-07 1 67 7 6 0.2123839E-07 1 70 7 7 0.2813673E-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 0.0000000E+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 0.2462753E-08 1 0.1544231E-03 2 0.6150445E-03 3 0.1360991E-02 4 0.1432237E-02 5 0.3507293E-03 6 0.1708382E-03 7 0.6648988E-04 8 0.1758896E-04 9 0.1208157E-05 v, j, mj = 0 1 0 0 0.7760406E-10 1 0.7204386E-02 2 0.4344875E-02 3 0.4527280E-03 4 0.5138739E-03 5 0.5865610E-03 6 0.1345940E-03 7 0.1440951E-04 8 0.5490054E-06 9 0.2190170E-07 v, j, mj = 0 1 1 0 0.1416262E-01 1 0.3180378E-01 2 0.1978024E-02 3 0.5080184E-02 4 0.1660512E-02 5 0.1103077E-02 6 0.1280747E-03 7 0.1026532E-03 8 0.1594634E-04 9 0.7962444E-06 v, j, mj = 0 3 -3 0 0.1458340E-08 1 0.3137574E-03 2 0.2622875E-03 3 0.3835994E-03 4 0.3324544E-03 5 0.1275231E-03 6 0.1692119E-03 7 0.5915836E-04 8 0.7464817E-05 9 0.1921481E-06 v, j, mj = 0 3 -2 0 0.2828242E-05 1 0.2694314E-04 2 0.6628736E-03 3 0.3372004E-03 4 0.5000017E-03 5 0.1990032E-03 6 0.4480450E-04 7 0.6988906E-05 8 0.9623975E-06 9 0.7275521E-08 v, j, mj = 0 3 -1 0 0.1137266E-08 1 0.3146538E-03 2 0.1244139E-02 3 0.6792592E-03 4 0.3863559E-03 5 0.2220784E-03 6 0.9234231E-04 7 0.1711393E-04 8 0.1572667E-05 9 0.1130171E-06 v, j, mj = 0 3 0 0 0.4639503E-10 1 0.1543508E-01 2 0.6926641E-02 3 0.1643673E-02 4 0.6375971E-03 5 0.4080612E-03 6 0.1599001E-03 7 0.2098206E-04 8 0.4810795E-06 9 0.1277856E-07 v, j, mj = 0 3 1 0 0.1691343E-01 1 0.2811983E-01 2 0.1588426E-02 3 0.2524630E-02 4 0.2088034E-02 5 0.9638302E-03 6 0.1949084E-03 7 0.6087867E-05 8 0.2366851E-05 9 0.8433361E-07 v, j, mj = 0 3 2 0 0.7304581E-11 1 0.1952997E-01 2 0.3681451E-02 3 0.2312339E-02 4 0.1869957E-02 5 0.4435634E-03 6 0.1859623E-03 7 0.2647446E-04 8 0.5085879E-06 9 0.7856001E-08 v, j, mj = 0 3 3 0 0.3864947E-08 1 0.7543938E-03 2 0.1185194E-02 3 0.1673400E-02 4 0.6563144E-03 5 0.3099364E-03 6 0.3094163E-03 7 0.4271797E-04 8 0.2489296E-05 9 0.5077041E-07 v, j, mj = 0 5 -5 0 0.6194317E-04 1 0.1166895E-04 2 0.1209958E-03 3 0.1586308E-03 4 0.1711687E-03 5 0.2006593E-03 6 0.7335223E-04 7 0.1333371E-04 8 0.6811471E-06 9 0.5121127E-08 v, j, mj = 0 5 -4 0 0.3253268E-09 1 0.1223293E-03 2 0.5040656E-03 3 0.3830572E-03 4 0.1653712E-03 5 0.2299918E-04 6 0.8857444E-05 7 0.1769658E-05 8 0.4474086E-07 9 0.1467061E-08 v, j, mj = 0 5 -3 0 0.1680999E-10 1 0.1227244E-03 2 0.5308274E-04 3 0.6522595E-04 4 0.1247461E-03 5 0.7082535E-04 6 0.4354551E-05 7 0.2657504E-05 8 0.1632027E-06 9 0.2686921E-08 v, j, mj = 0 5 -2 0 0.8689902E-06 1 0.6795487E-04 2 0.2953068E-03 3 0.1067318E-03 4 0.1040503E-03 5 0.4320070E-04 6 0.5183509E-05 7 0.6365830E-06 8 0.5219127E-07 9 0.5755625E-09 v, j, mj = 0 5 -1 0 0.2725675E-09 1 0.9535402E-04 2 0.3532852E-03 3 0.3714952E-04 4 0.5266065E-04 5 0.4433873E-04 6 0.1557327E-04 7 0.1773669E-05 8 0.2649322E-07 9 0.8043884E-09 v, j, mj = 0 5 0 0 0.2238010E-10 1 0.3083673E-02 2 0.1026332E-02 3 0.4300293E-03 4 0.2933880E-03 5 0.5546977E-04 6 0.2919570E-04 7 0.3433176E-05 8 0.4739447E-07 9 0.7659982E-09 v, j, mj = 0 5 1 0 0.3838492E-02 1 0.3396114E-02 2 0.1483408E-03 3 0.1631420E-03 4 0.2986584E-03 5 0.2854800E-03 6 0.5328590E-04 7 0.1467260E-05 8 0.2132828E-07 9 0.1315349E-08 v, j, mj = 0 5 2 0 0.9616249E-11 1 0.1065420E-01 2 0.4190199E-02 3 0.1005186E-02 4 0.3073872E-03 5 0.9455589E-04 6 0.1409355E-04 7 0.3115734E-05 8 0.5915512E-07 9 0.8156150E-09 v, j, mj = 0 5 3 0 0.9165257E-10 1 0.1011529E-02 2 0.2570913E-02 3 0.6161722E-03 4 0.3239709E-03 5 0.2180168E-03 6 0.1246477E-04 7 0.1998373E-05 8 0.1208488E-06 9 0.9165658E-09 v, j, mj = 0 5 4 0 0.4516227E-05 1 0.8899163E-04 2 0.8817387E-03 3 0.4120080E-03 4 0.4712492E-03 5 0.2016279E-03 6 0.3649557E-05 7 0.3905209E-05 8 0.1071024E-06 9 0.1930300E-08 v, j, mj = 0 5 5 0 0.3013319E-09 1 0.1948808E-04 2 0.1308322E-03 3 0.7281587E-04 4 0.2785948E-03 5 0.2008829E-03 6 0.9190259E-04 7 0.1920140E-04 8 0.1136086E-05 9 0.4534019E-08 v, j, mj = 0 7 -7 0 0.7383402E-10 1 0.1565538E-04 2 0.1030956E-04 3 0.2236975E-04 4 0.4242998E-04 5 0.4232575E-04 6 0.1271828E-04 7 0.5575883E-06 8 0.1340794E-08 9 0.1467577E-09 v, j, mj = 0 7 -6 0 0.6603258E-11 1 0.1588821E-04 2 0.2322815E-04 3 0.1471421E-04 4 0.3859604E-05 5 0.7872878E-05 6 0.2636412E-05 7 0.1064181E-06 8 0.1104185E-08 9 0.3618587E-09 v, j, mj = 0 7 -5 0 0.2001861E-04 1 0.3113409E-04 2 0.5215474E-04 3 0.2113746E-04 4 0.1483419E-04 5 0.3971982E-05 6 0.3885665E-06 7 0.1322232E-07 8 0.7318482E-09 9 0.6544498E-09 v, j, mj = 0 7 -4 0 0.3510236E-11 1 0.5352888E-05 2 0.4176391E-05 3 0.4068588E-04 4 0.1452986E-04 5 0.3758045E-05 6 0.3452831E-06 7 0.4464232E-08 8 0.7189133E-09 9 0.4996918E-09 v, j, mj = 0 7 -3 0 0.1632919E-11 1 0.6426452E-05 2 0.9567377E-04 3 0.3159759E-04 4 0.1420912E-05 5 0.1453263E-05 6 0.2531752E-06 7 0.2465206E-08 8 0.9734957E-09 9 0.2702309E-09 v, j, mj = 0 7 -2 0 0.8343718E-07 1 0.6983345E-04 2 0.1266835E-03 3 0.3349901E-04 4 0.5632472E-05 5 0.9605465E-06 6 0.1017973E-06 7 0.3584252E-08 8 0.8097360E-09 9 0.3623899E-09 v, j, mj = 0 7 -1 0 0.2693744E-11 1 0.1564781E-03 2 0.2001827E-04 3 0.3554414E-04 4 0.6781826E-05 5 0.1105368E-05 6 0.1835105E-06 7 0.1231480E-07 8 0.6647067E-09 9 0.5385140E-09 v, j, mj = 0 7 0 0 0.4357869E-12 1 0.1604394E-03 2 0.9875482E-04 3 0.2343928E-04 4 0.3331720E-04 5 0.4470695E-05 6 0.6116562E-06 7 0.3221393E-07 8 0.1149624E-08 9 0.6320420E-09 v, j, mj = 0 7 1 0 0.9843912E-04 1 0.2990004E-03 2 0.2203056E-03 3 0.4324840E-04 4 0.1384290E-04 5 0.1191047E-04 6 0.1204980E-05 7 0.1704589E-07 8 0.9934892E-09 9 0.9025310E-09 v, j, mj = 0 7 2 0 0.4990890E-13 1 0.1133440E-02 2 0.5072253E-03 3 0.1028456E-03 4 0.1589255E-04 5 0.3910505E-05 6 0.3305582E-06 7 0.1453839E-07 8 0.7554299E-09 9 0.5657718E-09 v, j, mj = 0 7 3 0 0.1285034E-10 1 0.4108405E-03 2 0.4922993E-03 3 0.1184436E-03 4 0.3922053E-04 5 0.1640935E-04 6 0.1577595E-05 7 0.6027023E-08 8 0.1198039E-08 9 0.1000961E-08 v, j, mj = 0 7 4 0 0.1222719E-06 1 0.2253972E-04 2 0.2945257E-03 3 0.5592218E-04 4 0.2728922E-04 5 0.1698103E-04 6 0.1376863E-05 7 0.1592329E-07 8 0.1224110E-08 9 0.8045432E-09 v, j, mj = 0 7 5 0 0.4364684E-11 1 0.1223832E-04 2 0.3146984E-04 3 0.3872751E-04 4 0.2643178E-04 5 0.9463852E-05 6 0.7050252E-06 7 0.3726213E-07 8 0.2175034E-08 9 0.1347623E-08 v, j, mj = 0 7 6 0 0.1131029E-10 1 0.6853231E-06 2 0.6589041E-05 3 0.4946364E-05 4 0.2113773E-05 5 0.7329956E-05 6 0.2593526E-05 7 0.1107656E-06 8 0.2474648E-08 9 0.1763650E-08 v, j, mj = 0 7 7 0 0.1082093E-05 1 0.6997641E-06 2 0.2976649E-05 3 0.1174556E-04 4 0.2938218E-04 5 0.3410559E-04 6 0.1070377E-04 7 0.4968074E-06 8 0.3656905E-08 9 0.8234722E-09 v, j, mj = 0 9 -9 0 0.5734915E-12 1 0.2254924E-08 2 0.7754945E-08 3 0.3228469E-07 4 0.2387632E-07 5 0.2408298E-08 6 0.3627763E-09 7 0.6189767E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2716048E-10 1 0.5700025E-09 2 0.3813251E-08 3 0.9560609E-08 4 0.7260035E-08 5 0.1071754E-08 6 0.7603797E-09 7 0.3469969E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.4384175E-12 1 0.3625419E-07 2 0.1231501E-07 3 0.9747200E-08 4 0.4624855E-08 5 0.2502247E-08 6 0.1569298E-08 7 0.8434526E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.7464210E-13 1 0.3900086E-08 2 0.1602562E-07 3 0.3453529E-08 4 0.2574472E-08 5 0.1431401E-08 6 0.2252958E-08 7 0.2262028E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1014809E-07 1 0.4146156E-08 2 0.3557562E-07 3 0.6614908E-07 4 0.7688538E-08 5 0.1004115E-08 6 0.2245089E-08 7 0.1172796E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.6096168E-13 1 0.2926738E-07 2 0.4344610E-06 3 0.6804300E-06 4 0.4775928E-07 5 0.1602159E-08 6 0.2948327E-08 7 0.1010022E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.4626313E-14 1 0.2576159E-06 2 0.5009122E-05 3 0.2341416E-05 4 0.4395019E-07 5 0.2281546E-08 6 0.2454685E-08 7 0.8291824E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.8820211E-09 1 0.3943962E-05 2 0.1631162E-04 3 0.3614126E-05 4 0.1815660E-07 5 0.5181709E-08 6 0.2894018E-08 7 0.1706886E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3207081E-13 1 0.1280704E-04 2 0.1985568E-04 3 0.3924116E-05 4 0.1902682E-07 5 0.2365617E-08 6 0.1698649E-08 7 0.4369227E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.2432352E-14 1 0.3032165E-04 2 0.3074864E-04 3 0.4771222E-05 4 0.1183192E-06 5 0.1190685E-07 6 0.4557413E-08 7 0.1160884E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.3259369E-05 1 0.4338117E-04 2 0.3673601E-04 3 0.8963473E-05 4 0.1113256E-06 5 0.9050258E-08 6 0.3271956E-08 7 0.2020038E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1316015E-13 1 0.7032682E-04 2 0.4491762E-04 3 0.6955507E-05 4 0.2490954E-06 5 0.1100355E-07 6 0.3537103E-08 7 0.1139781E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2176816E-13 1 0.3201353E-04 2 0.4508327E-04 3 0.4173909E-05 4 0.5423693E-06 5 0.3715405E-07 6 0.2367484E-08 7 0.1502790E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.5061218E-08 1 0.1769378E-05 2 0.2218342E-04 3 0.2777808E-05 4 0.3480852E-06 5 0.1961268E-07 6 0.4190980E-08 7 0.2105966E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1592984E-12 1 0.5592125E-07 2 0.2648768E-05 3 0.7003288E-06 4 0.5754216E-07 5 0.3263301E-08 6 0.2944601E-08 7 0.8806235E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2628136E-12 1 0.2261063E-07 2 0.1300624E-06 3 0.2157595E-06 4 0.2912321E-07 5 0.4658083E-08 6 0.7509642E-08 7 0.2765996E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3950445E-07 1 0.6314504E-08 2 0.1184993E-07 3 0.4230788E-07 4 0.2925750E-07 5 0.9414608E-08 6 0.6296433E-08 7 0.2524649E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.5120040E-13 1 0.1221193E-07 2 0.1131138E-07 3 0.3178106E-07 4 0.1990404E-07 5 0.5359581E-08 6 0.5753788E-08 7 0.1517038E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.4494323E-14 1 0.4706587E-08 2 0.2226675E-07 3 0.3919949E-07 4 0.4866416E-07 5 0.5629600E-08 6 0.1825663E-08 7 0.1796202E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.1065575E-10 1 0.8060240E-11 2 0.3534542E-11 3 0.8291180E-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 0.3477948E-16 1 0.6758352E-11 2 0.3476219E-10 3 0.2132394E-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 0.7697715E-16 1 0.1862991E-10 2 0.1394371E-10 3 0.2891609E-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 -8 0 0.2749548E-12 1 0.8832634E-11 2 0.2184167E-10 3 0.7571986E-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 -7 0 0.4940223E-15 1 0.1461217E-10 2 0.2396689E-10 3 0.1610771E-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 0.8042208E-15 1 0.7802120E-10 2 0.7043129E-10 3 0.1470838E-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 0.2452138E-10 1 0.1794244E-09 2 0.1441495E-09 3 0.2965298E-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 0.1029355E-15 1 0.3326135E-10 2 0.1820217E-09 3 0.6669636E-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 -3 0 0.1134039E-15 1 0.1971486E-09 2 0.1599399E-09 3 0.1468011E-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 0.5995730E-11 1 0.1306864E-09 2 0.3240168E-09 3 0.1471486E-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 0.2862707E-15 1 0.7010080E-09 2 0.1349306E-08 3 0.1781673E-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 0.1663881E-15 1 0.6156059E-09 2 0.2913395E-08 3 0.2441197E-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 0.9057945E-09 1 0.1449431E-08 2 0.6953533E-08 3 0.5209960E-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 0.6615349E-16 1 0.2457303E-08 2 0.3557292E-08 3 0.1726585E-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 0.1019055E-15 1 0.1910534E-08 2 0.1491787E-08 3 0.3279416E-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 0.3112197E-10 1 0.8226163E-09 2 0.1143136E-08 3 0.1267406E-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 0.3418856E-15 1 0.4825544E-10 2 0.2092142E-09 3 0.2789273E-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 6 0 0.3820505E-15 1 0.3261863E-10 2 0.1603126E-09 3 0.1243248E-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 7 0 0.3210447E-09 1 0.2697853E-09 2 0.2690855E-09 3 0.4512355E-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 0.6918479E-16 1 0.1396423E-09 2 0.6559650E-10 3 0.2205445E-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 0.1916668E-15 1 0.1227183E-10 2 0.7349357E-10 3 0.1715086E-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 0.9113453E-11 1 0.5162569E-10 2 0.5683038E-10 3 0.1930423E-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 11 0 0.5870907E-17 1 0.1985909E-10 2 0.2351543E-10 3 0.4676197E-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 = 1 1 -1 0 0.7592645E-09 1 0.8920592E-02 2 0.6671471E-03 3 0.1380035E-02 4 0.2222060E-02 5 0.6056823E-02 6 0.6551945E-03 7 0.3126143E-05 8 0.7359681E-09 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1348960E-10 1 0.1935497E-01 2 0.4504769E-02 3 0.5037726E-02 4 0.1615274E-02 5 0.1456547E-02 6 0.9883681E-05 7 0.1227325E-06 8 0.1712874E-08 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3743387E-01 1 0.2512487E-01 2 0.1874943E-01 3 0.1060537E-01 4 0.1240597E-01 5 0.2251075E-01 6 0.2197012E-02 7 0.1077952E-04 8 0.1026349E-08 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.8699811E-10 1 0.3545029E-03 2 0.5623626E-03 3 0.2755916E-03 4 0.1586088E-02 5 0.5213565E-03 6 0.7840767E-05 7 0.1657326E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2810129E-05 1 0.2980097E-02 2 0.3208017E-02 3 0.9624355E-03 4 0.3439860E-04 5 0.5281318E-04 6 0.1535425E-05 7 0.1091766E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1545435E-09 1 0.1325613E-01 2 0.3365134E-02 3 0.4527833E-03 4 0.1287097E-02 5 0.9271569E-03 6 0.3929692E-04 7 0.7618616E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1676454E-10 1 0.3895743E-02 2 0.1565658E-02 3 0.1930065E-02 4 0.1492489E-02 5 0.5846165E-03 6 0.3743213E-05 7 0.4210385E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2414904E-02 1 0.2094273E-01 2 0.6041735E-02 3 0.5815405E-02 4 0.2479747E-02 5 0.3433147E-02 6 0.1374006E-03 7 0.1617400E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1872019E-10 1 0.3193290E-02 2 0.2721729E-01 3 0.1576013E-01 4 0.1197689E-02 5 0.8339194E-04 6 0.2746353E-05 7 0.1421071E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3240689E-10 1 0.6946973E-03 2 0.1536258E-02 3 0.5123755E-03 4 0.1105137E-01 5 0.3565960E-02 6 0.5773941E-04 7 0.5473045E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.2778545E-05 1 0.2454013E-07 2 0.5271967E-05 3 0.1277564E-04 4 0.1627609E-05 5 0.4588169E-07 6 0.1014652E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.6436355E-11 1 0.4693805E-06 2 0.4693224E-05 3 0.7527481E-05 4 0.1261869E-05 5 0.1047341E-06 6 0.4808010E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.2201981E-11 1 0.1287573E-04 2 0.9838965E-04 3 0.9300489E-05 4 0.6401686E-05 5 0.6330349E-06 6 0.2195610E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.5916725E-06 1 0.5282409E-03 2 0.8241295E-03 3 0.4775416E-04 4 0.1323722E-05 5 0.3779008E-06 6 0.1953547E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.1191060E-11 1 0.2565445E-02 2 0.6242553E-03 3 0.1811469E-04 4 0.1164779E-04 5 0.1159872E-05 6 0.1352357E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.2347133E-12 1 0.1798757E-02 2 0.1104082E-02 3 0.1240364E-04 4 0.1203841E-04 5 0.1422857E-05 6 0.1342931E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.2532619E-02 1 0.9154000E-03 2 0.6559837E-03 3 0.3606324E-03 4 0.6883622E-05 5 0.3492231E-05 6 0.5317302E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.6631337E-12 1 0.3371396E-02 2 0.1635453E-02 3 0.4655588E-03 4 0.2538793E-04 5 0.1399446E-06 6 0.1537973E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.7550414E-11 1 0.1384091E-02 2 0.2072405E-03 3 0.2600006E-04 4 0.5254856E-04 5 0.2637365E-05 6 0.3994941E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3158122E-06 1 0.4374102E-04 2 0.4683550E-04 3 0.3695491E-04 4 0.8980259E-05 5 0.4044134E-06 6 0.1703027E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.2392272E-10 1 0.1621884E-05 2 0.1190028E-04 3 0.1484314E-04 4 0.2260813E-05 5 0.1957319E-06 6 0.1456458E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.6653792E-14 1 0.9861831E-09 2 0.3051256E-09 3 0.2363059E-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 0.2591076E-14 1 0.1816410E-09 2 0.1732127E-08 3 0.6935943E-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 = 1 7 -5 0 0.1372117E-08 1 0.2290275E-08 2 0.2530286E-08 3 0.2757505E-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 0.2035899E-14 1 0.9803247E-09 2 0.4588686E-08 3 0.1049775E-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 -3 0 0.2966582E-15 1 0.6896573E-09 2 0.1079856E-07 3 0.2922211E-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 -2 0 0.1414995E-09 1 0.2999617E-07 2 0.9332816E-07 3 0.1453038E-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 0.2578004E-16 1 0.3668695E-06 2 0.3978821E-06 3 0.3359569E-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 0.4019081E-16 1 0.1599980E-05 2 0.6330284E-06 3 0.4360492E-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 1 0 0.4128603E-05 1 0.4083189E-05 2 0.7690818E-06 3 0.3455204E-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 0.9267691E-16 1 0.3668064E-05 2 0.4964872E-06 3 0.4455262E-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 3 0 0.2485240E-14 1 0.4998723E-06 2 0.1465062E-06 3 0.6198686E-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 4 0 0.6656881E-09 1 0.1294169E-07 2 0.4001655E-07 3 0.1218712E-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 5 0 0.1641338E-14 1 0.1534468E-07 2 0.1238802E-07 3 0.5145050E-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 6 0 0.4776815E-14 1 0.1129275E-07 2 0.1970643E-08 3 0.7974991E-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 7 0 0.1261799E-07 1 0.1800591E-08 2 0.2668950E-08 3 0.1104920E-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 = 0.5831210 average vibrational energy (ev) = 0.302239 average rotational energy (ev) = 0.071252 average diffraction energy (ev) = 0.039458 the reaction probability = 0.4168790D+00 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.38705366D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1610848E+00 0.3896966E-01 0.1295098E+00 1 0.2686817E+00 0.4090300E-01 0.7255108E-01 2 0.3479738E-08 0.3525908E-02 0.1447186E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 1 -1 0.3786825E-02 0 37 1 0 0.8459060E-02 0 43 1 1 0.2449128E-01 0 21 3 -3 0.1816320E-02 0 26 3 -2 0.2432466E-02 0 32 3 -1 0.1961675E-02 0 38 3 0 0.1459244E-01 0 44 3 1 0.1732895E-01 0 49 3 2 0.2230474E-01 0 54 3 3 0.5519473E-02 0 13 5 -5 0.5619135E-03 0 17 5 -4 0.4142250E-03 0 22 5 -3 0.8566042E-03 0 27 5 -2 0.8627002E-03 0 33 5 -1 0.2318562E-02 0 39 5 0 0.3902411E-02 0 45 5 1 0.8214732E-02 0 50 5 2 0.1611993E-01 0 55 5 3 0.6753179E-02 0 59 5 4 0.4051081E-02 0 63 5 5 0.2859672E-02 0 7 7 -7 0.4085749E-03 0 10 7 -6 0.2032848E-03 0 14 7 -5 0.3312683E-03 0 18 7 -4 0.1930756E-03 0 23 7 -3 0.2681656E-03 0 28 7 -2 0.1912041E-03 0 34 7 -1 0.4741771E-03 0 40 7 0 0.8892401E-03 0 46 7 1 0.1791614E-02 0 51 7 2 0.1572957E-02 0 56 7 3 0.2091890E-02 0 60 7 4 0.9659991E-03 0 64 7 5 0.3959145E-03 0 67 7 6 0.3836128E-03 0 70 7 7 0.3918488E-03 0 3 9 -9 0.5219800E-05 0 5 9 -8 0.1478780E-05 0 8 9 -7 0.1443679E-05 0 11 9 -6 0.8787413E-06 0 15 9 -5 0.1478594E-05 0 19 9 -4 0.8891696E-05 0 24 9 -3 0.4509702E-04 0 29 9 -2 0.8569742E-04 0 35 9 -1 0.1104137E-03 0 41 9 0 0.1253717E-03 0 47 9 1 0.1208254E-03 0 52 9 2 0.1487973E-03 0 57 9 3 0.1562397E-03 0 61 9 4 0.7964786E-04 0 65 9 5 0.1970123E-04 0 68 9 6 0.2531830E-05 0 71 9 7 0.2191519E-05 0 73 9 8 0.2411598E-05 0 75 9 9 0.4717851E-05 0 1 11 -11 0.7990214E-10 0 2 11 -10 0.3077615E-09 0 4 11 -9 0.2578259E-09 0 6 11 -8 0.2441921E-09 0 9 11 -7 0.3719259E-09 0 12 11 -6 0.1060158E-08 0 16 11 -5 0.2267147E-08 0 20 11 -4 0.1996432E-08 0 25 11 -3 0.5843247E-08 0 30 11 -2 0.2336088E-07 0 36 11 -1 0.5342500E-07 0 42 11 0 0.1227740E-06 0 48 11 1 0.2297893E-06 0 53 11 2 0.1944783E-06 0 58 11 3 0.5630091E-07 0 62 11 4 0.1289483E-07 0 66 11 5 0.5490339E-08 0 69 11 6 0.3686182E-08 0 72 11 7 0.6419044E-08 0 74 11 8 0.1154997E-08 0 76 11 9 0.3628562E-09 0 77 11 10 0.2888209E-09 0 78 11 11 0.1509447E-09 1 31 1 -1 0.1378035E-01 1 37 1 0 0.2389437E-01 1 43 1 1 0.7363815E-01 1 21 3 -3 0.2938973E-02 1 26 3 -2 0.9832198E-02 1 32 3 -1 0.1573811E-01 1 38 3 0 0.1164915E-01 1 44 3 1 0.3524199E-01 1 49 3 2 0.3091333E-01 1 54 3 3 0.1712229E-01 1 13 5 -5 0.1029596E-03 1 17 5 -4 0.1157549E-03 1 22 5 -3 0.6409683E-03 1 27 5 -2 0.4480402E-02 1 33 5 -1 0.9348188E-02 1 39 5 0 0.4388095E-02 1 45 5 1 0.4941493E-02 1 50 5 2 0.6718102E-02 1 55 5 3 0.2083847E-02 1 59 5 4 0.6255648E-03 1 63 5 5 0.3064049E-03 1 7 7 -7 0.7923119E-08 1 10 7 -6 0.1357277E-07 1 14 7 -5 0.3386287E-07 1 18 7 -4 0.6276048E-07 1 23 7 -3 0.6618553E-06 1 28 7 -2 0.5394921E-05 1 34 7 -1 0.1761061E-04 1 40 7 0 0.2216661E-04 1 46 7 1 0.6366359E-04 1 51 7 2 0.5697469E-04 1 56 7 3 0.1236463E-04 1 60 7 4 0.1554339E-05 1 64 7 5 0.1723862E-06 1 67 7 6 0.5298667E-07 1 70 7 7 0.2836677E-06 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 0.8666755E-09 2 37 1 0 0.3237939E-09 2 43 1 1 0.2289268E-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 0.8487570E-08 1 0.1489527E-03 2 0.2830536E-03 3 0.1193602E-02 4 0.7989218E-03 5 0.6416239E-03 6 0.4841445E-03 7 0.1819454E-03 8 0.4986999E-04 9 0.4702727E-05 v, j, mj = 0 1 0 0 0.2017530E-08 1 0.4026874E-02 2 0.2926366E-02 3 0.7036228E-03 4 0.3402914E-03 5 0.1522693E-03 6 0.2612676E-03 7 0.4525612E-04 8 0.3024361E-05 9 0.8746274E-07 v, j, mj = 0 1 1 0 0.5383171E-02 1 0.9176989E-02 2 0.3930583E-02 3 0.3857798E-02 4 0.5872154E-03 5 0.1114926E-02 6 0.3493346E-03 7 0.7918722E-04 8 0.1074526E-04 9 0.1330011E-05 v, j, mj = 0 3 -3 0 0.1192314E-07 1 0.9099597E-04 2 0.1158567E-03 3 0.4078393E-03 4 0.3934223E-03 5 0.2222549E-03 6 0.3755628E-03 7 0.1808396E-03 8 0.2842163E-04 9 0.1114434E-05 v, j, mj = 0 3 -2 0 0.1387062E-05 1 0.8010576E-05 2 0.5257025E-03 3 0.6492227E-03 4 0.8736093E-03 5 0.2808911E-03 6 0.4311834E-04 7 0.4200510E-04 8 0.8356821E-05 9 0.1627210E-06 v, j, mj = 0 3 -1 0 0.5586224E-08 1 0.9368179E-05 2 0.6103294E-03 3 0.5517683E-03 4 0.7206391E-04 5 0.3933990E-03 6 0.2507614E-03 7 0.6779967E-04 8 0.5702863E-05 9 0.4770721E-06 v, j, mj = 0 3 0 0 0.6161452E-09 1 0.1076996E-01 2 0.1645296E-02 3 0.9998302E-03 4 0.8117040E-03 5 0.1631656E-03 6 0.1455223E-03 7 0.5298036E-04 8 0.3946859E-05 9 0.3453565E-07 v, j, mj = 0 3 1 0 0.5096006E-02 1 0.7016801E-02 2 0.2374490E-02 3 0.1340493E-02 4 0.8835969E-03 5 0.2973010E-03 6 0.2582539E-03 7 0.5982343E-04 8 0.2089397E-05 9 0.9507623E-07 v, j, mj = 0 3 2 0 0.4522062E-09 1 0.1643265E-01 2 0.2619659E-02 3 0.2157820E-02 4 0.2754581E-03 5 0.4962625E-03 6 0.3001516E-03 7 0.1914637E-04 8 0.3429629E-05 9 0.1606894E-06 v, j, mj = 0 3 3 0 0.3232378E-08 1 0.5383890E-03 2 0.3382732E-03 3 0.2172080E-02 4 0.1259791E-02 5 0.8399085E-03 6 0.2392397E-03 7 0.1003548E-03 8 0.2935732E-04 9 0.2076122E-05 v, j, mj = 0 5 -5 0 0.1175222E-05 1 0.1051802E-04 2 0.1398459E-03 3 0.5131550E-04 4 0.7382162E-04 5 0.2068646E-03 6 0.6453229E-04 7 0.1296982E-04 8 0.8630671E-06 9 0.7451837E-08 v, j, mj = 0 5 -4 0 0.5643055E-09 1 0.1010465E-04 2 0.1398623E-03 3 0.1065178E-03 4 0.7534953E-04 5 0.3470523E-04 6 0.4159565E-04 7 0.5918982E-05 8 0.1688249E-06 9 0.1409854E-08 v, j, mj = 0 5 -3 0 0.2556580E-08 1 0.9449551E-04 2 0.3833100E-03 3 0.1365336E-03 4 0.1282889E-03 5 0.9716566E-04 6 0.1357600E-04 7 0.2916656E-05 8 0.3087456E-06 9 0.6565384E-08 v, j, mj = 0 5 -2 0 0.1654986E-06 1 0.5404096E-05 2 0.2858753E-03 3 0.3717012E-03 4 0.1254452E-03 5 0.6313933E-04 6 0.8744592E-05 7 0.1830866E-05 8 0.3895811E-06 9 0.4404651E-08 v, j, mj = 0 5 -1 0 0.1851454E-08 1 0.9990247E-03 2 0.1053106E-02 3 0.1560504E-03 4 0.4499853E-04 5 0.3079696E-04 6 0.2922968E-04 7 0.5252595E-05 8 0.9815437E-07 9 0.2788064E-08 v, j, mj = 0 5 0 0 0.9775173E-09 1 0.2816560E-02 2 0.5940773E-03 3 0.1978302E-03 4 0.1798193E-03 5 0.9561948E-04 6 0.1143296E-04 7 0.6631319E-05 8 0.4374686E-06 9 0.1870814E-08 v, j, mj = 0 5 1 0 0.7405301E-04 1 0.4824662E-02 2 0.2688976E-02 3 0.4210543E-03 4 0.7095870E-04 5 0.9434902E-04 6 0.3208587E-04 7 0.8364215E-05 8 0.2267344E-06 9 0.9610989E-09 v, j, mj = 0 5 2 0 0.6759360E-09 1 0.1057169E-01 2 0.4278594E-02 3 0.9242671E-03 4 0.2050175E-03 5 0.1068647E-03 6 0.3044271E-04 7 0.2943132E-05 8 0.1040673E-06 9 0.2416315E-08 v, j, mj = 0 5 3 0 0.2899576E-08 1 0.1532606E-02 2 0.3590352E-02 3 0.6298022E-03 4 0.3729921E-03 5 0.4978963E-03 6 0.1249778E-03 7 0.4082857E-05 8 0.4576556E-06 9 0.9111139E-08 v, j, mj = 0 5 4 0 0.1451580E-05 1 0.1566995E-03 2 0.2115492E-02 3 0.5662624E-03 4 0.7078171E-03 5 0.3920131E-03 6 0.8187322E-04 7 0.2786793E-04 8 0.1590171E-05 9 0.1470614E-07 v, j, mj = 0 5 5 0 0.1780280E-07 1 0.5752897E-04 2 0.4549045E-03 3 0.4765067E-03 4 0.5961027E-03 5 0.7520056E-03 6 0.4090407E-03 7 0.1063545E-03 8 0.7142949E-05 9 0.6716469E-07 v, j, mj = 0 7 -7 0 0.8431104E-09 1 0.3923453E-04 2 0.3485852E-04 3 0.5982505E-04 4 0.8108324E-04 5 0.1210715E-03 6 0.6577143E-04 7 0.6666390E-05 8 0.6327701E-07 9 0.1335277E-09 v, j, mj = 0 7 -6 0 0.2282293E-10 1 0.6999722E-05 2 0.5515560E-04 3 0.7468066E-04 4 0.4230717E-04 5 0.1416088E-04 6 0.9080225E-05 7 0.8842960E-06 8 0.1573806E-07 9 0.5260382E-09 v, j, mj = 0 7 -5 0 0.3052502E-04 1 0.1762795E-04 2 0.8391493E-04 3 0.1002994E-03 4 0.6072635E-04 5 0.3195974E-04 6 0.5991326E-05 7 0.2181660E-06 8 0.5034038E-08 9 0.4290132E-09 v, j, mj = 0 7 -4 0 0.8595519E-10 1 0.1598656E-04 2 0.7582937E-04 3 0.3926960E-04 4 0.4249109E-04 5 0.1627033E-04 6 0.3130112E-05 7 0.9688069E-07 8 0.9725480E-09 9 0.6153271E-09 v, j, mj = 0 7 -3 0 0.5875774E-10 1 0.6519218E-04 2 0.9526002E-04 3 0.9049831E-04 4 0.1450341E-04 5 0.1712157E-05 6 0.9558522E-06 7 0.4230543E-07 8 0.9277653E-09 9 0.3572263E-09 v, j, mj = 0 7 -2 0 0.3445302E-06 1 0.5698543E-04 2 0.4796986E-04 3 0.7445869E-04 4 0.9493851E-05 5 0.1547311E-05 6 0.3819698E-06 7 0.2121405E-07 8 0.8914271E-09 9 0.3760845E-09 v, j, mj = 0 7 -1 0 0.9316868E-10 1 0.1012224E-03 2 0.2560402E-03 3 0.1080794E-03 4 0.6315487E-05 5 0.1984640E-05 6 0.4952245E-06 7 0.3855140E-07 8 0.4855302E-09 9 0.5603911E-09 v, j, mj = 0 7 0 0 0.4365476E-10 1 0.4170936E-03 2 0.3017324E-03 3 0.1461173E-03 4 0.1217035E-04 5 0.1127428E-04 6 0.7696873E-06 7 0.8011678E-07 8 0.2154128E-08 9 0.1841243E-09 v, j, mj = 0 7 1 0 0.1054961E-03 1 0.5297906E-03 2 0.1067459E-02 3 0.7500331E-04 4 0.6586717E-05 5 0.5296838E-05 6 0.1900928E-05 7 0.7860963E-07 8 0.1327448E-08 9 0.6878737E-09 v, j, mj = 0 7 2 0 0.6156601E-10 1 0.9216263E-03 2 0.5722664E-03 3 0.3026410E-04 4 0.4307094E-04 5 0.4077184E-05 6 0.1550885E-05 7 0.9842448E-07 8 0.1951964E-08 9 0.4020446E-09 v, j, mj = 0 7 3 0 0.9534366E-11 1 0.1098078E-02 2 0.8663448E-03 3 0.4772794E-04 4 0.5833489E-04 5 0.1346936E-04 6 0.7630957E-05 7 0.3009902E-06 8 0.1340916E-08 9 0.9311906E-09 v, j, mj = 0 7 4 0 0.1140507E-05 1 0.1301502E-03 2 0.5993238E-03 3 0.8351439E-04 4 0.9547035E-04 5 0.4210002E-04 6 0.1399460E-04 7 0.3025348E-06 8 0.2101758E-08 9 0.6582017E-09 v, j, mj = 0 7 5 0 0.1030932E-10 1 0.2177141E-04 2 0.1367468E-03 3 0.5823808E-04 4 0.1031055E-03 5 0.6250601E-04 6 0.1319712E-04 7 0.3432787E-06 8 0.5158031E-08 9 0.1107383E-08 v, j, mj = 0 7 6 0 0.9011494E-11 1 0.4436401E-05 2 0.1089411E-03 3 0.1397194E-03 4 0.8469536E-04 5 0.2179229E-04 6 0.2160266E-04 7 0.2393872E-05 8 0.2823518E-07 9 0.3392779E-08 v, j, mj = 0 7 7 0 0.5396381E-05 1 0.1529478E-04 2 0.3571065E-04 3 0.1548743E-04 4 0.7370141E-04 5 0.1498146E-03 6 0.8615931E-04 7 0.1015695E-04 8 0.1263274E-06 9 0.9596408E-09 v, j, mj = 0 9 -9 0 0.3524336E-10 1 0.1865890E-06 2 0.8869410E-07 3 0.1283053E-05 4 0.3024293E-05 5 0.6221364E-06 6 0.1490580E-07 7 0.8441097E-10 8 0.1031753E-10 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.7425509E-09 1 0.4442862E-07 2 0.1669242E-06 3 0.5094014E-06 4 0.6343736E-06 5 0.1170767E-06 6 0.5174978E-08 7 0.6346687E-09 8 0.2333942E-10 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3925796E-11 1 0.4245581E-06 2 0.7331302E-06 3 0.1183431E-06 4 0.1192977E-06 5 0.4265895E-07 6 0.3684303E-08 7 0.1948889E-08 8 0.5348600E-10 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.3119736E-11 1 0.4057924E-06 2 0.3264805E-06 3 0.6973915E-07 4 0.6741770E-07 5 0.4395425E-08 6 0.2635898E-08 7 0.2233353E-08 8 0.4379982E-10 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2065876E-07 1 0.1869819E-06 2 0.3730728E-06 3 0.8054672E-06 4 0.6944127E-07 5 0.1907476E-07 6 0.2613529E-08 7 0.1249315E-08 8 0.3404760E-10 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.9126812E-12 1 0.2207111E-06 2 0.4353697E-05 3 0.4262978E-05 4 0.4250368E-07 5 0.9013938E-08 6 0.2408874E-08 7 0.3514126E-09 8 0.3153547E-10 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3091896E-11 1 0.1429966E-05 2 0.3398590E-04 3 0.9599777E-05 4 0.6743473E-07 5 0.1093765E-07 6 0.1505702E-08 7 0.1437645E-08 8 0.5133551E-10 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.9946869E-08 1 0.1562064E-04 2 0.6102738E-04 3 0.8986703E-05 4 0.3687233E-07 5 0.1246900E-07 6 0.2334640E-08 7 0.1043519E-08 8 0.2135777E-10 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1193260E-12 1 0.3844231E-04 2 0.5921811E-04 3 0.1252648E-04 4 0.1986664E-06 5 0.2544519E-07 6 0.1819440E-08 7 0.7708952E-09 8 0.5758901E-10 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1215593E-12 1 0.4883675E-04 2 0.6333532E-04 3 0.1301335E-04 4 0.1435153E-06 5 0.3767548E-07 6 0.4050822E-08 7 0.8809693E-09 8 0.9921778E-10 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2876705E-07 1 0.4245781E-04 2 0.6472378E-04 3 0.1258496E-04 4 0.1011867E-05 5 0.1472830E-07 6 0.2916765E-08 7 0.5535287E-09 8 0.1061313E-10 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3308279E-14 1 0.9970869E-04 2 0.4579521E-04 3 0.2552489E-05 4 0.6789909E-06 5 0.5683216E-07 6 0.4101803E-08 7 0.8064122E-09 8 0.1477824E-09 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3100349E-11 1 0.8008238E-04 2 0.7147704E-04 3 0.4460758E-05 4 0.1336317E-06 5 0.7746148E-07 6 0.7914481E-08 7 0.4490597E-09 8 0.7209159E-10 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3756922E-07 1 0.1308097E-04 2 0.6419141E-04 3 0.1639098E-05 4 0.5969612E-06 5 0.9484117E-07 6 0.5377425E-08 7 0.1593081E-08 8 0.2999821E-10 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.8729192E-11 1 0.1054634E-05 2 0.1533123E-04 3 0.2819011E-05 4 0.4772592E-06 5 0.1432863E-07 6 0.3462289E-08 7 0.1180694E-08 8 0.1175327E-09 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2432809E-11 1 0.8758208E-07 2 0.1174492E-05 3 0.8907753E-06 4 0.3146874E-06 5 0.5653775E-07 6 0.5715704E-08 7 0.1993733E-08 8 0.4282573E-10 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1866446E-06 1 0.5159807E-06 2 0.9103103E-06 3 0.4409176E-06 4 0.6101792E-07 5 0.5747244E-07 6 0.1252127E-07 7 0.6617179E-08 8 0.3720313E-10 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2714289E-11 1 0.1487523E-06 2 0.7471826E-06 3 0.6609349E-06 4 0.6757688E-06 5 0.1618797E-06 6 0.1484821E-07 7 0.2197979E-08 8 0.3031603E-10 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1426849E-10 1 0.1819956E-06 2 0.1862932E-06 3 0.1243854E-05 4 0.2546525E-05 5 0.5473246E-06 6 0.1116238E-07 7 0.6738314E-09 8 0.8492260E-11 9 0.0000000E+00 v, j, mj = 0 11 -11 0 0.8551639E-11 1 0.1349900E-10 2 0.2845852E-10 3 0.1631931E-10 4 0.1307368E-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 0.6644736E-15 1 0.3072043E-10 2 0.1249920E-09 3 0.9088763E-10 4 0.6116078E-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 0.5068539E-14 1 0.1965144E-10 2 0.6541553E-10 3 0.1176453E-09 4 0.5510854E-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 -8 0 0.1147328E-10 1 0.1976893E-10 2 0.3875633E-10 3 0.6277222E-10 4 0.1114214E-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 0.7781286E-14 1 0.5307754E-10 2 0.1193631E-10 3 0.8031294E-10 4 0.2265914E-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 0.4329545E-14 1 0.2201437E-09 2 0.1935085E-09 3 0.1615629E-09 4 0.4849383E-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 -5 0 0.6293688E-09 1 0.3529353E-09 2 0.4175044E-09 3 0.3348284E-09 4 0.5325098E-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 -4 0 0.2162691E-14 1 0.1310912E-09 2 0.9662627E-09 3 0.2072804E-09 4 0.6917951E-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 -3 0 0.6076190E-15 1 0.1494072E-09 2 0.2785663E-08 3 0.1621547E-08 4 0.1286629E-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 0.2285791E-10 1 0.2252100E-08 2 0.1251074E-07 3 0.7520420E-08 4 0.1054761E-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 0.1251260E-14 1 0.1254693E-07 2 0.3005962E-07 3 0.8889181E-08 4 0.1929266E-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 0.1698116E-14 1 0.5035973E-07 2 0.6276652E-07 3 0.7074505E-08 4 0.2573209E-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 0.4786890E-07 1 0.1029261E-06 2 0.6927763E-07 3 0.5477607E-08 4 0.4239090E-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 0.8112675E-15 1 0.1104051E-06 2 0.7451674E-07 3 0.8017375E-08 4 0.1539097E-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 0.5142006E-15 1 0.1745904E-07 2 0.3164493E-07 3 0.4401272E-08 4 0.2795669E-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 0.6586322E-11 1 0.1327279E-08 2 0.8883667E-08 3 0.1238654E-08 4 0.1438642E-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 0.1918052E-14 1 0.1145656E-09 2 0.7607741E-09 3 0.2060739E-08 4 0.2554259E-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 0.2478467E-14 1 0.3564008E-09 2 0.6266319E-09 3 0.6518913E-09 4 0.2051255E-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 0.7109531E-10 1 0.1128056E-08 2 0.1356244E-08 3 0.1082732E-08 4 0.2780916E-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 8 0 0.9669371E-14 1 0.7350164E-10 2 0.1373855E-09 3 0.3236910E-09 4 0.6204095E-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 0.3573533E-14 1 0.1068096E-10 2 0.4625345E-10 3 0.1350105E-09 4 0.1709078E-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 0.7246163E-11 1 0.3975611E-10 2 0.8367027E-10 3 0.5895197E-10 4 0.9919642E-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 0.1778910E-14 1 0.3698199E-10 2 0.5661796E-10 3 0.2831971E-10 4 0.2902328E-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 0.1705556E-07 1 0.5841731E-02 2 0.2163345E-02 3 0.1710054E-02 4 0.1325825E-02 5 0.1497096E-02 6 0.1204954E-02 7 0.3729712E-04 8 0.2818947E-07 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1260057E-08 1 0.1217578E-01 2 0.3586366E-02 3 0.4882290E-02 4 0.2780168E-02 5 0.3279902E-03 6 0.1414604E-03 7 0.3056891E-06 8 0.6871148E-08 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3168027E-01 1 0.2478200E-01 2 0.3546381E-02 3 0.4511646E-02 4 0.2254873E-02 5 0.3010097E-02 6 0.3743700E-02 7 0.1090975E-03 8 0.7975280E-07 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2012646E-08 1 0.3350421E-03 2 0.1143948E-02 3 0.4441694E-03 4 0.4971803E-03 5 0.4678245E-03 6 0.5060585E-04 7 0.2010285E-06 8 0.5330850E-09 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1131647E-04 1 0.4027995E-02 2 0.2789192E-02 3 0.2379553E-02 4 0.4828334E-03 5 0.1251780E-03 6 0.1605179E-04 7 0.7732526E-07 8 0.1251038E-08 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.4234113E-08 1 0.9584127E-02 2 0.2467533E-02 3 0.2274535E-02 4 0.6560560E-03 5 0.5954835E-03 6 0.1586944E-03 7 0.1676593E-05 8 0.1848181E-08 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1778517E-08 1 0.6702756E-02 2 0.2207669E-02 3 0.1416755E-02 4 0.8783298E-03 5 0.4067609E-03 6 0.3679681E-04 7 0.7491119E-07 8 0.2740414E-08 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1782792E-02 1 0.1601137E-01 2 0.3891498E-02 3 0.9420110E-02 4 0.2569954E-02 5 0.1073145E-02 6 0.4883805E-03 7 0.4735977E-05 8 0.4896320E-08 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.6781301E-09 1 0.5767622E-02 2 0.1000159E-01 3 0.1270013E-01 4 0.2261755E-02 5 0.1570718E-03 6 0.2504459E-04 7 0.1120038E-06 8 0.1822514E-08 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1761916E-08 1 0.1766492E-03 2 0.2514853E-02 3 0.1625567E-02 4 0.1894913E-02 5 0.1002945E-01 6 0.8776274E-03 7 0.3227363E-05 8 0.6037332E-09 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1084348E-05 1 0.4805125E-05 2 0.1639516E-04 3 0.5652793E-04 4 0.2291836E-04 5 0.1224226E-05 6 0.4363182E-08 7 0.4590823E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.1178970E-10 1 0.8950745E-05 2 0.3913302E-04 3 0.6497822E-04 4 0.2470693E-05 5 0.2061587E-06 6 0.1603889E-07 7 0.2430650E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3902195E-11 1 0.8306093E-04 2 0.5277339E-03 3 0.1967513E-04 4 0.8412430E-05 5 0.2033509E-05 6 0.5227974E-07 7 0.7890889E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.4261169E-05 1 0.2214584E-02 2 0.2177597E-02 3 0.7171561E-04 4 0.1029136E-04 5 0.1913825E-05 6 0.3946642E-07 7 0.1251356E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.3355824E-10 1 0.7528776E-02 2 0.1681534E-02 3 0.9956958E-04 4 0.3431806E-04 5 0.3885760E-05 6 0.1050873E-06 7 0.2998372E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.4227569E-10 1 0.2936954E-02 2 0.1295612E-02 3 0.1350681E-03 4 0.1652491E-04 5 0.3825585E-05 6 0.1096532E-06 7 0.1593945E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.2077414E-02 1 0.1167603E-02 2 0.7313488E-03 3 0.7931145E-03 4 0.1671628E-03 5 0.4403476E-05 6 0.4461496E-06 7 0.1242583E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.8148455E-11 1 0.3782405E-02 2 0.2065512E-02 3 0.7399522E-03 4 0.1293318E-03 5 0.8216863E-06 6 0.7908670E-07 7 0.1391464E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1082458E-10 1 0.1353136E-02 2 0.4918807E-03 3 0.1123815E-03 4 0.9416266E-04 5 0.3189444E-04 6 0.3918838E-06 7 0.4754307E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1341113E-05 1 0.1342010E-03 2 0.2892952E-03 3 0.6292491E-04 4 0.1293545E-03 5 0.8408621E-05 6 0.3934189E-07 7 0.1500950E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.6731912E-11 1 0.1328491E-04 2 0.1368958E-03 3 0.5543780E-04 4 0.9223901E-04 5 0.8493993E-05 6 0.5331368E-07 7 0.7954197E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1381368E-10 1 0.2328235E-08 2 0.2433834E-08 3 0.2330664E-08 4 0.8165728E-09 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 0.2426610E-12 1 0.3125009E-08 2 0.6998155E-08 3 0.2474211E-08 4 0.9751567E-09 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 0.1426596E-08 1 0.6319313E-08 2 0.1916722E-07 3 0.4778959E-08 4 0.2170783E-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 0.3711180E-14 1 0.1957780E-08 2 0.4507306E-07 3 0.6945783E-08 4 0.8783853E-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 -3 0 0.1120547E-13 1 0.7190409E-07 2 0.5512819E-06 3 0.1572171E-07 4 0.2294757E-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 0.4886958E-08 1 0.1843071E-05 2 0.3248292E-05 3 0.2647693E-06 4 0.3390109E-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 0.6776402E-14 1 0.8352647E-05 2 0.8585020E-05 3 0.6497205E-06 4 0.2322445E-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 0.1474189E-14 1 0.1371582E-04 2 0.8063965E-05 3 0.3636576E-06 4 0.2317117E-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 0.2780858E-04 1 0.3165111E-04 2 0.3986438E-05 3 0.2063708E-06 4 0.1108533E-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 0.4302533E-14 1 0.5061480E-04 2 0.6187438E-05 3 0.1512109E-06 4 0.2123740E-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 0.1247391E-13 1 0.1050278E-04 2 0.1589602E-05 3 0.2504679E-06 4 0.2178404E-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 0.5854222E-08 1 0.5320352E-06 2 0.8873883E-06 3 0.7466028E-07 4 0.5440060E-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 0.1137046E-12 1 0.6012501E-07 2 0.5017806E-07 3 0.4662523E-07 4 0.1545780E-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 6 0 0.2722294E-12 1 0.9467461E-08 2 0.2311928E-07 3 0.8690084E-08 4 0.1170957E-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 7 0 0.2768110E-07 1 0.1663385E-06 2 0.5426031E-07 3 0.3075140E-07 4 0.4636355E-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 0.3503433E-14 1 0.8666720E-09 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 0.1041102E-14 1 0.3237929E-09 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 0.1990609E-08 1 0.2986594E-09 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 = 0.4297665 average vibrational energy (ev) = 0.318486 average rotational energy (ev) = 0.093900 average diffraction energy (ev) = 0.040178 the reaction probability = 0.5702335D+00 etrans(icomin)= 0.153164 etrans(icomax)= 0.548542 etrans= 0.550000 CPU TIMES Total computation 283026.1329 (a) ... Propagating the wavefunction 279962.8993 (b) Setup time 2452.4166 Saving the wave function for rerun 150.4021 Calculating averages 12.2222 Calculating and saving BK-coeffs 34.6978 Asymptotic analysis 25.1799 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 282637.8179 (a) ... FFTs along X and Y 19767.7922 Kinetic energy operation along Z 45015.4843 Kinetic energy operation along r 44253.0698 Potential energy multiplication 38922.3627 Legengre transforms 108632.9454 Shifting the wavefunction 12808.4721 Kinetic energy multiplications (xy) 1960.8679 Absorbing the wavefunction 2475.9810 Projection formalism 98.7953 Operations on specular grid 0.1551 ----------------------------------------------------- Sum 273935.9257 (b) ... Potential initialisation time 0.0001 Potential setup time 2371.2963 FFTs along X 11143.7426 FFTs along Y 8624.0496 Time spent on FGH for asympwf 0.6062 Ending date and time: Fri Oct 25 00:50:37 CEST 2019