Starting date and time: Fri Aug 9 08:00:19 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190809 at 080019.778 *** * 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: v0j7mj2-0.15eV-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.: 25 * Maximum Mj value in grid representation.: 25 * 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): 0.20000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 10000 * 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: 7 * Initial rotational quantum number Mj: 2 * Initial rotational quantum number V: 0 * 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: 7 * Mj in: 2 * Maximum J value in grid rep.: 25 * 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 = 26 ... * Setting up the angular grid module with JMax = 25 ... * 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 : 13 * JMax in basis set : 25 * JMin in basis set : 1 * Delta J in basis set : 2 * Grid has been set up for JIn = 7 , MjIn = 2 ... *** 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 = 0.30994415E-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 = 13 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 = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 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 = 144 iz = 148 iz = 152 iz = 142 iz = 156 iz = 160 iz = 143 iz = 146 iz = 147 iz = 150 iz = 151 iz = 154 iz = 155 iz = 145 iz = 158 iz = 159 iz = 149 iz = 162 iz = 153 iz = 157 iz = 161 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. 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 = 0.17010239E+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 -0.389393 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.374921 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.346109 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.303218 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.246626 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.176823 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 -0.094393 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 0.000000 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.105629 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.221720 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.347468 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.482052 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.624647 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.774436 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 0.930622 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 1.092428 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.259111 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.429960 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.604301 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.781499 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 1.960955 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.142112 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.324447 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.507475 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.690745 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.873837 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 1 0 -4.377131 0.120037 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.133774 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.161123 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.201841 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.255568 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.321844 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.400117 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.489758 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.590077 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.700338 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.819773 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 0.947597 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 1.083021 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.225261 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.373549 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.527142 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.685327 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.847426 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 2.012795 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.180827 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.350947 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.522614 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.695315 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.868564 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 3.041904 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.214915 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 energy initial v,j state = -4.497167 potential energy = -4.997940 rotational energy = 0.373844 vibrational energy = 0.126929 rovibrational energy = 0.500773 expectation value r = 1.519097 ******************************************************************************** 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 ******************************************************************************** 351 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 55 * initial rotational state in basis, ichn = 198 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 14905 * Index of initial rot-dif channel in basis, inchna = 10028 ******************************************************************************** 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 0.20158188E-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 = 10 * Maximum v in analysis: nviba = 2 * 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 1.51909677 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.51910328 0.99999998E+00 0.10000000E+03 0.99999997 17.14754172 1.51910988 0.99999995E+00 0.15000000E+03 0.99999996 17.02131258 1.51911097 0.99999979E+00 0.20000000E+03 0.99999994 16.89508344 1.51911064 0.99999852E+00 0.25000000E+03 0.99999993 16.76885430 1.51910928 0.99998982E+00 0.30000000E+03 0.99999991 16.64262516 1.51910374 0.99993928E+00 0.35000000E+03 0.99999990 16.51639602 1.51909728 0.99969720E+00 0.40000000E+03 0.99999989 16.39016687 1.51910212 0.99874786E+00 0.45000000E+03 0.99999987 16.26393773 1.51911063 0.99569670E+00 0.50000000E+03 0.99999986 16.13770858 1.51911134 0.98760718E+00 0.55000000E+03 0.99999984 16.01147941 1.51911033 0.96972254E+00 0.60000000E+03 0.99999983 15.88525016 1.51910874 0.93629614E+00 0.65000000E+03 0.99999982 15.75902072 1.51910394 0.88265990E+00 0.70000000E+03 0.99999980 15.63279086 1.51909801 0.80756267E+00 0.75000000E+03 0.99999979 15.50656013 1.51910108 0.71431857E+00 0.80000000E+03 0.99999977 15.38032789 1.51911102 0.61003002E+00 0.85000000E+03 0.99999976 15.25409318 1.51911191 0.50340984E+00 0.90000000E+03 0.99999974 15.12785481 1.51911005 0.40241934E+00 0.95000000E+03 0.99999973 15.00161134 1.51910821 0.31270928E+00 0.10000000E+04 0.99999972 14.87536121 1.51910400 0.23716175E+00 0.10500000E+04 0.99999970 14.74910281 1.51909869 0.17627132E+00 0.11000000E+04 0.99999969 14.62283452 1.51910060 0.12891002E+00 0.11500000E+04 0.99999967 14.49655481 1.51911059 0.93104762E-01 0.12000000E+04 0.99999966 14.37026219 1.51911326 0.66633374E-01 0.12500000E+04 0.99999964 14.24395526 1.51910962 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910835 0.33589145E-01 0.13500000E+04 0.99999962 13.99129292 1.51910496 0.23771128E-01 0.14000000E+04 0.99999960 13.86493463 1.51910121 0.16830006E-01 0.14500000E+04 0.99999959 13.73855614 1.51910402 0.11939071E-01 0.15000000E+04 0.99999957 13.61215564 1.51911587 0.84968626E-02 0.15500000E+04 0.99999956 13.48573105 1.51912404 0.60728900E-02 0.16000000E+04 0.99999954 13.35927998 1.51912432 0.43625363E-02 0.16500000E+04 0.99999953 13.23279967 1.51912943 0.31518925E-02 0.17000000E+04 0.99999952 13.10628700 1.51913563 0.22914451E-02 0.17500000E+04 0.99999950 12.97973841 1.51914352 0.16769328E-02 0.18000000E+04 0.99999949 12.85314998 1.51915905 0.12356811E-02 0.18500000E+04 0.99999947 12.72651736 1.51918562 0.91698039E-03 0.19000000E+04 0.99999946 12.59983587 1.51921257 0.68536701E-03 0.19500000E+04 0.99999944 12.47310051 1.51923211 0.51596028E-03 0.20000000E+04 0.99999943 12.34630601 1.51925618 0.39123496E-03 0.20500000E+04 0.99999942 12.21944687 1.51928581 0.29879166E-03 0.21000000E+04 0.99999940 12.09251743 1.51931607 0.22981299E-03 0.21500000E+04 0.99999939 11.96551188 1.51935460 0.17799613E-03 0.22000000E+04 0.99999937 11.83842431 1.51940274 0.13881055E-03 0.22500000E+04 0.99999936 11.71124870 1.51945262 0.10898064E-03 0.23000000E+04 0.99999935 11.58397898 1.51949427 0.86124825E-04 0.23500000E+04 0.99999933 11.45660901 1.51953656 0.68500090E-04 0.24000000E+04 0.99999932 11.32913259 1.51958617 0.54823615E-04 0.24500000E+04 0.99999930 11.20154346 1.51963495 0.44145426E-04 0.25000000E+04 0.99999929 11.07383534 1.51968962 0.35757817E-04 0.25500000E+04 0.99999927 10.94600192 1.51975262 0.29130472E-04 0.26000000E+04 0.99999926 10.81803691 1.51981734 0.23863714E-04 0.26500000E+04 0.99999925 10.68993408 1.51987354 0.19654379E-04 0.27000000E+04 0.99999923 10.56168728 1.51992759 0.16272151E-04 0.27500000E+04 0.99999922 10.43329061 1.51998959 0.13539895E-04 0.28000000E+04 0.99999920 10.30473842 1.52005280 0.11321364E-04 0.28500000E+04 0.99999919 10.17602550 1.52011919 0.95110195E-05 0.29000000E+04 0.99999917 10.04714720 1.52019571 0.80266633E-05 0.29500000E+04 0.99999916 9.91809961 1.52027442 0.68037245E-05 0.30000000E+04 0.99999915 9.78887977 1.52034800 0.57920196E-05 0.30500000E+04 0.99999913 9.65948590 1.52041876 0.49512579E-05 0.31000000E+04 0.99999912 9.52991769 1.52050024 0.42495837E-05 0.31500000E+04 0.99999910 9.40017658 1.52058927 0.36615507E-05 0.32000000E+04 0.99999909 9.27026612 1.52068321 0.31667626E-05 0.32500000E+04 0.99999907 9.14019233 1.52079274 0.27488113E-05 0.33000000E+04 0.99999906 9.00996412 1.52091250 0.23944310E-05 0.33500000E+04 0.99999904 8.87959374 1.52103614 0.20928364E-05 0.34000000E+04 0.99999903 8.74909728 1.52116687 0.18352216E-05 0.34500000E+04 0.99999902 8.61849514 1.52131972 0.16143903E-05 0.35000000E+04 0.99999900 8.48781265 1.52149851 0.14244611E-05 0.35500000E+04 0.99999899 8.35708058 1.52170021 0.12603728E-05 0.36000000E+04 0.99999897 8.22633580 1.52193656 0.11186006E-05 0.36500000E+04 0.99999896 8.09562183 1.52221145 0.99553231E-06 0.37000000E+04 0.99999894 7.96498951 1.52251889 0.88834227E-06 0.37500000E+04 0.99999892 7.83449763 1.52286701 0.79468238E-06 0.38000000E+04 0.99999891 7.70421350 1.52327162 0.71262313E-06 0.38500000E+04 0.99999889 7.57421359 1.52374582 0.64057117E-06 0.39000000E+04 0.99999887 7.44458402 1.52428779 0.57718023E-06 0.39500000E+04 0.99999885 7.31542108 1.52490856 0.52108215E-06 0.40000000E+04 0.99999883 7.18683162 1.52561861 0.47168573E-06 0.40500000E+04 0.99999881 7.05893343 1.52641263 0.42790823E-06 0.41000000E+04 0.99999877 6.93185538 1.52729540 0.38900066E-06 0.41500000E+04 0.99999873 6.80573758 1.52827977 0.35431559E-06 0.42000000E+04 0.99999866 6.68073131 1.52937487 0.32330229E-06 0.42500000E+04 0.99999857 6.55699885 1.53057554 0.29551277E-06 0.43000000E+04 0.99999844 6.43471314 1.53187706 0.27059577E-06 0.43500000E+04 0.99999825 6.31405726 1.53328086 0.24807053E-06 0.44000000E+04 0.99999798 6.19522380 1.53477198 0.22806159E-06 0.44500000E+04 0.99999761 6.07841407 1.53633465 0.21008801E-06 0.45000000E+04 0.99999709 5.96383713 1.53796496 0.19387639E-06 0.45500000E+04 0.99999639 5.85170871 1.53965355 0.17918757E-06 0.46000000E+04 0.99999545 5.74224994 1.54138203 0.16583364E-06 0.46500000E+04 0.99999422 5.63568595 1.54312624 0.15366997E-06 0.47000000E+04 0.99999262 5.53224439 1.54487119 0.14257665E-06 0.47500000E+04 0.99999060 5.43215380 1.54659529 0.13244870E-06 0.48000000E+04 0.99998807 5.33564187 1.54827302 0.12320028E-06 0.48500000E+04 0.99998496 5.24293368 1.54989132 0.11476917E-06 0.49000000E+04 0.99998119 5.15424980 1.55144004 0.10710637E-06 0.49500000E+04 0.99997670 5.06980451 1.55290296 0.99950221E-07 0.50000000E+04 0.99997142 4.98980392 1.55426081 0.93636332E-07 0.50500000E+04 0.99996531 4.91444424 1.55549912 0.87861666E-07 0.51000000E+04 0.99995832 4.84391011 1.55660564 0.82528739E-07 0.51500000E+04 0.99995045 4.77837318 1.55756339 0.77561994E-07 0.52000000E+04 0.99994169 4.71799064 1.55836472 0.72916187E-07 0.52500000E+04 0.99993207 4.66290403 1.55901026 0.68570582E-07 0.53000000E+04 0.99992164 4.61323819 1.55949941 0.64517189E-07 0.53500000E+04 0.99991044 4.56910028 1.55983156 0.60747610E-07 0.54000000E+04 0.99989857 4.53057915 1.56000863 0.57257058E-07 0.54500000E+04 0.99988610 4.49774476 1.56003581 0.54036536E-07 0.55000000E+04 0.99987314 4.47064804 1.55991427 0.51063865E-07 0.55500000E+04 0.99985978 4.44932086 1.55964674 0.48144172E-07 0.56000000E+04 0.99984615 4.43377637 1.55924191 0.45620855E-07 0.56500000E+04 0.99983235 4.42400943 1.55870887 0.43249404E-07 0.57000000E+04 0.99981851 4.41999734 1.55805710 0.41054252E-07 0.57500000E+04 0.99980472 4.42170066 1.55729909 0.38990058E-07 0.58000000E+04 0.99979111 4.42906413 1.55644931 0.36991899E-07 0.58500000E+04 0.99977778 4.44201766 1.55551970 0.35205107E-07 0.59000000E+04 0.99976482 4.46047746 1.55451848 0.33589598E-07 0.59500000E+04 0.99975231 4.48434708 1.55345468 0.31939698E-07 0.60000000E+04 0.99974034 4.51351850 1.55233626 0.30519122E-07 0.60500000E+04 0.99972897 4.54787326 1.55117052 0.29327920E-07 0.61000000E+04 0.99971823 4.58728348 1.54996729 0.27830568E-07 0.61500000E+04 0.99970817 4.63161296 1.54873894 0.26426614E-07 0.62000000E+04 0.99969880 4.68071821 1.54749728 0.25646042E-07 0.62500000E+04 0.99969013 4.73444955 1.54625055 0.24396736E-07 0.63000000E+04 0.99968218 4.79265216 1.54500485 0.22778968E-07 0.63500000E+04 0.99967493 4.85516714 1.54376465 0.21881339E-07 0.64000000E+04 0.99966836 4.92183248 1.54253361 0.21683646E-07 0.64500000E+04 0.99966246 4.99248402 1.54131811 0.20796263E-07 0.65000000E+04 0.99965718 5.06695622 1.54012763 0.19149338E-07 0.65500000E+04 0.99965251 5.14508296 1.53897117 0.18405606E-07 0.66000000E+04 0.99964838 5.22669827 1.53785329 0.19507888E-07 0.66500000E+04 0.99964475 5.31163700 1.53677329 0.20312070E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67000000E+04 0.99964155 5.39973561 1.53572713 0.18500566E-07 0.67500000E+04 0.99963874 5.49083276 1.53471012 0.17969914E-07 0.68000000E+04 0.99963624 5.58476999 1.53372168 0.25316332E-07 0.68500000E+04 0.99963398 5.68139217 1.53276745 0.37033943E-07 0.69000000E+04 0.99963188 5.78054788 1.53185600 0.44123792E-07 0.69500000E+04 0.99962985 5.88208971 1.53099345 0.54914148E-07 0.70000000E+04 0.99962778 5.98587438 1.53017996 0.91475724E-07 0.70500000E+04 0.99962551 6.09176288 1.52940989 0.15488699E-06 0.71000000E+04 0.99962283 6.19962051 1.52867481 0.22399051E-06 0.71500000E+04 0.99961947 6.30931682 1.52796871 0.30195853E-06 0.72000000E+04 0.99961503 6.42072555 1.52729198 0.42800404E-06 0.72500000E+04 0.99960899 6.53372438 1.52664982 0.62231864E-06 0.73000000E+04 0.99960065 6.64819466 1.52604717 0.85465496E-06 0.73500000E+04 0.99958909 6.76402101 1.52548457 0.10942044E-05 0.74000000E+04 0.99957311 6.88109083 1.52495746 0.13609619E-05 0.74500000E+04 0.99955117 6.99929385 1.52445873 0.16914550E-05 0.75000000E+04 0.99952137 7.11852157 1.52398317 0.20699029E-05 0.75500000E+04 0.99948133 7.23866677 1.52353099 0.24293749E-05 0.76000000E+04 0.99942817 7.35962301 1.52310660 0.27203905E-05 0.76500000E+04 0.99935845 7.48128424 1.52271392 0.29476301E-05 0.77000000E+04 0.99926813 7.60354454 1.52235221 0.31266679E-05 0.77500000E+04 0.99915253 7.72629786 1.52201583 0.32293212E-05 0.78000000E+04 0.99900631 7.84943806 1.52169731 0.31956934E-05 0.78500000E+04 0.99882350 7.97285893 1.52139200 0.29967409E-05 0.79000000E+04 0.99859748 8.09645447 1.52110119 0.26660019E-05 0.79500000E+04 0.99832104 8.22011929 1.52083073 0.22731710E-05 0.80000000E+04 0.99798644 8.34374905 1.52058585 0.19030999E-05 0.80500000E+04 0.99758545 8.46724111 1.52036654 0.17014375E-05 0.81000000E+04 0.99710948 8.59049517 1.52016722 0.19636702E-05 0.81500000E+04 0.99654960 8.71341393 1.51998025 0.31872839E-05 0.82000000E+04 0.99589670 8.83590375 1.51980103 0.60676564E-05 0.82500000E+04 0.99514155 8.95787524 1.51963096 0.11531404E-04 0.83000000E+04 0.99427489 9.07924378 1.51947611 0.20891288E-04 0.83500000E+04 0.99328752 9.19992993 1.51934205 0.36075704E-04 0.84000000E+04 0.99217035 9.31985979 1.51922891 0.59785526E-04 0.84500000E+04 0.99091454 9.43896528 1.51913091 0.95491356E-04 0.85000000E+04 0.98951149 9.55718432 1.51904031 0.14737597E-03 0.85500000E+04 0.98795299 9.67446102 1.51895264 0.22044285E-03 0.86000000E+04 0.98623120 9.79074576 1.51886964 0.32087193E-03 0.86500000E+04 0.98433880 9.90599535 1.51879773 0.45644407E-03 0.87000000E+04 0.98226900 10.02017300 1.51874281 0.63676700E-03 0.87500000E+04 0.98001558 10.13324834 1.51870528 0.87313893E-03 0.88000000E+04 0.97757298 10.24519731 1.51867934 0.11782263E-02 0.88500000E+04 0.97493627 10.35600201 1.51865722 0.15658997E-02 0.89000000E+04 0.97210118 10.46565042 1.51863461 0.20513202E-02 0.89500000E+04 0.96906415 10.57413614 1.51861335 0.26510132E-02 0.90000000E+04 0.96582228 10.68145816 1.51859952 0.33825531E-02 0.90500000E+04 0.96237342 10.78762076 1.51859816 0.42635293E-02 0.91000000E+04 0.95871621 10.89263352 1.51860851 0.53099102E-02 0.91500000E+04 0.95485022 10.99651166 1.51862356 0.65343165E-02 0.92000000E+04 0.95077608 11.09927652 1.51863498 0.79446562E-02 0.92500000E+04 0.94649561 11.20095615 1.51863920 0.95434253E-02 0.93000000E+04 0.94201203 11.30158584 1.51864012 0.11327690E-01 0.93500000E+04 0.93732992 11.40120831 1.51864659 0.13289409E-01 0.94000000E+04 0.93245527 11.49987348 1.51866616 0.15415869E-01 0.94500000E+04 0.92739526 11.59763754 1.51869951 0.17690439E-01 0.95000000E+04 0.92215796 11.69456136 1.51873923 0.20093618E-01 0.95500000E+04 0.91675191 11.79070841 1.51877464 0.22604503E-01 0.96000000E+04 0.91118570 11.88614237 1.51879886 0.25202524E-01 0.96500000E+04 0.90546744 11.98092468 1.51881268 0.27868881E-01 0.97000000E+04 0.89960441 12.07511251 1.51882323 0.30587321E-01 0.97500000E+04 0.89360277 12.16875719 1.51883849 0.33344235E-01 0.98000000E+04 0.88746744 12.26190345 1.51886169 0.36127950E-01 0.98500000E+04 0.88120211 12.35458942 1.51888938 0.38927533E-01 0.99000000E+04 0.87480945 12.44684732 1.51891489 0.41731503E-01 0.99500000E+04 0.86829139 12.53870479 1.51893443 0.44526637E-01 0.10000000E+05 0.86164954 12.63018653 1.51895017 0.47297386E-01 0.10050000E+05 0.85488556 12.72131605 1.51896830 0.50026146E-01 0.10100000E+05 0.84800158 12.81211728 1.51899379 0.52694115E-01 0.10150000E+05 0.84100045 12.90261574 1.51902566 0.55282507E-01 0.10200000E+05 0.83388588 12.99283902 1.51905623 0.57773780E-01 0.10250000E+05 0.82666239 13.08281662 1.51907588 0.60152466E-01 0.10300000E+05 0.81933518 13.17257894 1.51908023 0.62405631E-01 0.10350000E+05 0.81190971 13.26215567 1.51907396 0.64522939E-01 0.10400000E+05 0.80439140 13.35157369 1.51906825 0.66496596E-01 0.10450000E+05 0.79678517 13.44085492 1.51907416 0.68321291E-01 0.10500000E+05 0.78909507 13.53001413 1.51909591 0.69994195E-01 0.10550000E+05 0.78132406 13.61905728 1.51912806 0.71514614E-01 0.10600000E+05 0.77347387 13.70798039 1.51915883 0.72883501E-01 0.10650000E+05 0.76554504 13.79676910 1.51917757 0.74102831E-01 0.10700000E+05 0.75753703 13.88539889 1.51918102 0.75175084E-01 0.10750000E+05 0.74944854 13.97383594 1.51917407 0.76103005E-01 0.10800000E+05 0.74127781 14.06203850 1.51916597 0.76889685E-01 0.10850000E+05 0.73302296 14.14995858 1.51916470 0.77538650E-01 0.10900000E+05 0.72468235 14.23754380 1.51917252 0.78053804E-01 0.10950000E+05 0.71625483 14.32473922 1.51918559 0.78439186E-01 0.11000000E+05 0.70773995 14.41148905 1.51919785 0.78698677E-01 0.11050000E+05 0.69913800 14.49773806 1.51920559 0.78835994E-01 0.11100000E+05 0.69045011 14.58343261 1.51920896 0.78854919E-01 0.11150000E+05 0.68167807 14.66852131 1.51921057 0.78759681E-01 0.11200000E+05 0.67282429 14.75295526 1.51921288 0.78555350E-01 0.11250000E+05 0.66389165 14.83668803 1.51921595 0.78247970E-01 0.11300000E+05 0.65488334 14.91967535 1.51921735 0.77844265E-01 0.11350000E+05 0.64580277 15.00187472 1.51921504 0.77351078E-01 0.11400000E+05 0.63665348 15.08324498 1.51921036 0.76774779E-01 0.11450000E+05 0.62743911 15.16374593 1.51920750 0.76120963E-01 0.11500000E+05 0.61816342 15.24333817 1.51921013 0.75394561E-01 0.11550000E+05 0.60883026 15.32198302 1.51921844 0.74600249E-01 0.11600000E+05 0.59944368 15.39964270 1.51922803 0.73742949E-01 0.11650000E+05 0.59000795 15.47628072 1.51923203 0.72828117E-01 0.11700000E+05 0.58052769 15.55186235 1.51922617 0.71861571E-01 0.11750000E+05 0.57100786 15.62635530 1.51921304 0.70848987E-01 0.11800000E+05 0.56145385 15.69973032 1.51920093 0.69795429E-01 0.11850000E+05 0.55187150 15.77196193 1.51919786 0.68705236E-01 0.11900000E+05 0.54226709 15.84302886 1.51920601 0.67582291E-01 0.11950000E+05 0.53264732 15.91291447 1.51921998 0.66430475E-01 0.12000000E+05 0.52301923 15.98160685 1.51922960 0.65253989E-01 0.12050000E+05 0.51339016 16.04909876 1.51922681 0.64057336E-01 0.12100000E+05 0.50376761 16.11538729 1.51921208 0.62844871E-01 0.12150000E+05 0.49415919 16.18047347 1.51919446 0.61620210E-01 0.12200000E+05 0.48457253 16.24436163 1.51918473 0.60385913E-01 0.12250000E+05 0.47501522 16.30705890 1.51918817 0.59143718E-01 0.12300000E+05 0.46549474 16.36857463 1.51920155 0.57895151E-01 0.12350000E+05 0.45601843 16.42891989 1.51921486 0.56642169E-01 0.12400000E+05 0.44659349 16.48810708 1.51921775 0.55387423E-01 0.12450000E+05 0.43722690 16.54614970 1.51920717 0.54133977E-01 0.12500000E+05 0.42792542 16.60306208 1.51918933 0.52884693E-01 0.12550000E+05 0.41869555 16.65885926 1.51917427 0.51641658E-01 0.12600000E+05 0.40954354 16.71355691 1.51916909 0.50406021E-01 0.12650000E+05 0.40047529 16.76717125 1.51917477 0.49178319E-01 0.12700000E+05 0.39149638 16.81971896 1.51918599 0.47959048E-01 0.12750000E+05 0.38261204 16.87121708 1.51919426 0.46749151E-01 0.12800000E+05 0.37382713 16.92168297 1.51919413 0.45550211E-01 0.12850000E+05 0.36514616 16.97113415 1.51918634 0.44364254E-01 0.12900000E+05 0.35657328 17.01958824 1.51917501 0.43193305E-01 0.12950000E+05 0.34811231 17.06706288 1.51916413 0.42038947E-01 0.13000000E+05 0.33976674 17.11357572 1.51915693 0.40902066E-01 0.13050000E+05 0.33153973 17.15914444 1.51915502 0.39782905E-01 0.13100000E+05 0.32343417 17.20378679 1.51915713 0.38681349E-01 0.13150000E+05 0.31545267 17.24752064 1.51916091 0.37597316E-01 0.13200000E+05 0.30759755 17.29036407 1.51916512 0.36531056E-01 0.13250000E+05 0.29987086 17.33233529 1.51916796 0.35483196E-01 0.13300000E+05 0.29227441 17.37345266 1.51916630 0.34454559E-01 0.13350000E+05 0.28480973 17.41373459 1.51915902 0.33445902E-01 0.13400000E+05 0.27747810 17.45319939 1.51914851 0.32457705E-01 0.13450000E+05 0.27028054 17.49186522 1.51913807 0.31490114E-01 0.13500000E+05 0.26321783 17.52974995 1.51913098 0.30543021E-01 0.13550000E+05 0.25629051 17.56687117 1.51913091 0.29616211E-01 0.13600000E+05 0.24949889 17.60324614 1.51913854 0.28709512E-01 0.13650000E+05 0.24284309 17.63889177 1.51914898 0.27822877E-01 0.13700000E+05 0.23632298 17.67382467 1.51915576 0.26956411E-01 0.13750000E+05 0.22993828 17.70806115 1.51915509 0.26110333E-01 0.13800000E+05 0.22368851 17.74161718 1.51914578 0.25284873E-01 0.13850000E+05 0.21757301 17.77450844 1.51913012 0.24480148E-01 0.13900000E+05 0.21159098 17.80675025 1.51911591 0.23696087E-01 0.13950000E+05 0.20574145 17.83835755 1.51911158 0.22932413E-01 0.14000000E+05 0.20002332 17.86934488 1.51911880 0.22188726E-01 0.14050000E+05 0.19443539 17.89972627 1.51913280 0.21464627E-01 0.14100000E+05 0.18897631 17.92951522 1.51914634 0.20759814E-01 0.14150000E+05 0.18364464 17.95872464 1.51915135 0.20074106E-01 0.14200000E+05 0.17843886 17.98736684 1.51914302 0.19407369E-01 0.14250000E+05 0.17335733 18.01545346 1.51912596 0.18759425E-01 0.14300000E+05 0.16839837 18.04299559 1.51911133 0.18129994E-01 0.14350000E+05 0.16356022 18.07000377 1.51910650 0.17518706E-01 0.14400000E+05 0.15884107 18.09648813 1.51911194 0.16925154E-01 0.14450000E+05 0.15423905 18.12245851 1.51912406 0.16348946E-01 0.14500000E+05 0.14975229 18.14792455 1.51913553 0.15789725E-01 0.14550000E+05 0.14537887 18.17289577 1.51913857 0.15247157E-01 0.14600000E+05 0.14111685 18.19738161 1.51913283 0.14720916E-01 0.14650000E+05 0.13696428 18.22139139 1.51912507 0.14210672E-01 0.14700000E+05 0.13291918 18.24493436 1.51911970 0.13716101E-01 0.14750000E+05 0.12897956 18.26801955 1.51911633 0.13236888E-01 0.14800000E+05 0.12514344 18.29065582 1.51911494 0.12772736E-01 0.14850000E+05 0.12140880 18.31285180 1.51911537 0.12323351E-01 0.14900000E+05 0.11777363 18.33461587 1.51911607 0.11888416E-01 0.14950000E+05 0.11423593 18.35595617 1.51911826 0.11467579E-01 0.15000000E+05 0.11079368 18.37688065 1.51912504 0.11060456E-01 0.15050000E+05 0.10744488 18.39739703 1.51913327 0.10666663E-01 0.15100000E+05 0.10418753 18.41751284 1.51913458 0.10285837E-01 0.15150000E+05 0.10101965 18.43723539 1.51912639 0.99176444E-02 0.15200000E+05 0.09793927 18.45657178 1.51911352 0.95617684E-02 0.15250000E+05 0.09494442 18.47552889 1.51910228 0.92178855E-02 0.15300000E+05 0.09203316 18.49411337 1.51909959 0.88856611E-02 0.15350000E+05 0.08920357 18.51233166 1.51911002 0.85647518E-02 0.15400000E+05 0.08645375 18.53019004 1.51912760 0.82548111E-02 0.15450000E+05 0.08378183 18.54769467 1.51913861 0.79554979E-02 0.15500000E+05 0.08118595 18.56485163 1.51913619 0.76664797E-02 0.15550000E+05 0.07866430 18.58166696 1.51912446 0.73874383E-02 0.15600000E+05 0.07621509 18.59814669 1.51911021 0.71180691E-02 0.15650000E+05 0.07383654 18.61429681 1.51910073 0.68580731E-02 0.15700000E+05 0.07152693 18.63012331 1.51910238 0.66071503E-02 0.15750000E+05 0.06928454 18.64563211 1.51911298 0.63649998E-02 0.15800000E+05 0.06710770 18.66082908 1.51912253 0.61313322E-02 0.15850000E+05 0.06499474 18.67572001 1.51912590 0.59058800E-02 0.15900000E+05 0.06294405 18.69031058 1.51912600 0.56883947E-02 0.15950000E+05 0.06095404 18.70460640 1.51912414 0.54786386E-02 0.16000000E+05 0.05902312 18.71861295 1.51911963 0.52763848E-02 0.16050000E+05 0.05714978 18.73233560 1.51911484 0.50814161E-02 0.16100000E+05 0.05533249 18.74577963 1.51911089 0.48935131E-02 0.16150000E+05 0.05356977 18.75895021 1.51910605 0.47124337E-02 0.16200000E+05 0.05186018 18.77185240 1.51910341 0.45379173E-02 0.16250000E+05 0.05020230 18.78449117 1.51910982 0.43697212E-02 0.16300000E+05 0.04859472 18.79687138 1.51912352 0.42076526E-02 0.16350000E+05 0.04703609 18.80899784 1.51913423 0.40515550E-02 0.16400000E+05 0.04552508 18.82087524 1.51913541 0.39012605E-02 0.16450000E+05 0.04406037 18.83250822 1.51912571 0.37565592E-02 0.16500000E+05 0.04264069 18.84390132 1.51910728 0.36172179E-02 0.16550000E+05 0.04126479 18.85505903 1.51909068 0.34830181E-02 0.16600000E+05 0.03993145 18.86598576 1.51909030 0.33537746E-02 0.16650000E+05 0.03863948 18.87668585 1.51910779 0.32293241E-02 0.16700000E+05 0.03738770 18.88716355 1.51912976 0.31095107E-02 0.16750000E+05 0.03617497 18.89742307 1.51914307 0.29941826E-02 0.16800000E+05 0.03500019 18.90746850 1.51914116 0.28831874E-02 0.16850000E+05 0.03386226 18.91730386 1.51912292 0.27763601E-02 0.16900000E+05 0.03276013 18.92693308 1.51909869 0.26735153E-02 0.16950000E+05 0.03169275 18.93636004 1.51908660 0.25744646E-02 0.17000000E+05 0.03065911 18.94558852 1.51909431 0.24790496E-02 0.17050000E+05 0.02965823 18.95462225 1.51911290 0.23871608E-02 0.17100000E+05 0.02868915 18.96346489 1.51913075 0.22987200E-02 0.17150000E+05 0.02775092 18.97212004 1.51914021 0.22136413E-02 0.17200000E+05 0.02684263 18.98059124 1.51913488 0.21318015E-02 0.17250000E+05 0.02596339 18.98888195 1.51911741 0.20530408E-02 0.17300000E+05 0.02511233 18.99699559 1.51910177 0.19771911E-02 0.17350000E+05 0.02428861 19.00493547 1.51909761 0.19041099E-02 0.17400000E+05 0.02349139 19.01270482 1.51910232 0.18337019E-02 0.17450000E+05 0.02271989 19.02030683 1.51911165 0.17659134E-02 0.17500000E+05 0.02197330 19.02774458 1.51912335 0.17007037E-02 0.17550000E+05 0.02125089 19.03502111 1.51913026 0.16380085E-02 0.17600000E+05 0.02055189 19.04213934 1.51912743 0.15777218E-02 0.17650000E+05 0.01987560 19.04910215 1.51912057 0.15197086E-02 0.17700000E+05 0.01922130 19.05591232 1.51911523 0.14638391E-02 0.17750000E+05 0.01858833 19.06257256 1.51910974 0.14100176E-02 0.17800000E+05 0.01797601 19.06908551 1.51910498 0.13581864E-02 0.17850000E+05 0.01738370 19.07545376 1.51910640 0.13083087E-02 0.17900000E+05 0.01681078 19.08167986 1.51911275 0.12603447E-02 0.17950000E+05 0.01625664 19.08776632 1.51911879 0.12142386E-02 0.18000000E+05 0.01572068 19.09371559 1.51912540 0.11699168E-02 0.18050000E+05 0.01520233 19.09953006 1.51913160 0.11272938E-02 0.18100000E+05 0.01470104 19.10521210 1.51912950 0.10862805E-02 0.18150000E+05 0.01421625 19.11076403 1.51911758 0.10467931E-02 0.18200000E+05 0.01374746 19.11618813 1.51910498 0.10087619E-02 0.18250000E+05 0.01329414 19.12148665 1.51909845 0.97213641E-03 0.18300000E+05 0.01285580 19.12666181 1.51909965 0.93688285E-03 0.18350000E+05 0.01243196 19.13171581 1.51911207 0.90297276E-03 0.18400000E+05 0.01202216 19.13665077 1.51913235 0.87037050E-03 0.18450000E+05 0.01162593 19.14146879 1.51914485 0.83902632E-03 0.18500000E+05 0.01124285 19.14617192 1.51913950 0.80887926E-03 0.18550000E+05 0.01087248 19.15076219 1.51912172 0.77986586E-03 0.18600000E+05 0.01051442 19.15524159 1.51910133 0.75192781E-03 0.18650000E+05 0.01016826 19.15961209 1.51908740 0.72501515E-03 0.18700000E+05 0.00983362 19.16387563 1.51909157 0.69908644E-03 0.18750000E+05 0.00951012 19.16803414 1.51911586 0.67410818E-03 0.18800000E+05 0.00919739 19.17208950 1.51914274 0.65005395E-03 0.18850000E+05 0.00889509 19.17604356 1.51915359 0.62690148E-03 0.18900000E+05 0.00860286 19.17989811 1.51914487 0.60462728E-03 0.18950000E+05 0.00832038 19.18365493 1.51912157 0.58320173E-03 0.19000000E+05 0.00804733 19.18731578 1.51909396 0.56258717E-03 0.19050000E+05 0.00778339 19.19088236 1.51908078 0.54274032E-03 0.19100000E+05 0.00752827 19.19435636 1.51909446 0.52361726E-03 0.19150000E+05 0.00728167 19.19773943 1.51912411 0.50517887E-03 0.19200000E+05 0.00704331 19.20103316 1.51914912 0.48739459E-03 0.19250000E+05 0.00681291 19.20423907 1.51915815 0.47024375E-03 0.19300000E+05 0.00659022 19.20735863 1.51914672 0.45371392E-03 0.19350000E+05 0.00637497 19.21039328 1.51911793 0.43779674E-03 0.19400000E+05 0.00616691 19.21334437 1.51909019 0.42248215E-03 0.19450000E+05 0.00596581 19.21621325 1.51908430 0.40775341E-03 0.19500000E+05 0.00577143 19.21900121 1.51910137 0.39358505E-03 0.19550000E+05 0.00558355 19.22170951 1.51912788 0.37994501E-03 0.19600000E+05 0.00540194 19.22433938 1.51915189 0.36679991E-03 0.19650000E+05 0.00522641 19.22689202 1.51916127 0.35412066E-03 0.19700000E+05 0.00505674 19.22936860 1.51914681 0.34188574E-03 0.19750000E+05 0.00489274 19.23177023 1.51911736 0.33008165E-03 0.19800000E+05 0.00473422 19.23409800 1.51909437 0.31870069E-03 0.19850000E+05 0.00458099 19.23635295 1.51908968 0.30773718E-03 0.19900000E+05 0.00443287 19.23853611 1.51910259 0.29718321E-03 0.19950000E+05 0.00428970 19.24064847 1.51912916 0.28702586E-03 0.20000000E+05 0.00415131 19.24269099 1.51915679 0.27724762E-03 warning: ndused not equal to ndatus ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 400 # data used, ndused = 396 effective prop.time, spectral resolution (mev) = 19800.0000 0.4317532E+01 meaningful results in kin energy range (ev) 0.004318 1.709743 results will be obtained for nen95 energies,nen95 = 93 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1511136 -0.003198 2.51818 2 0.1554312 -0.019888 1.97361 3 0.1597487 -0.023358 1.45182 4 0.1640662 -0.014007 0.94320 5 0.1683837 0.001261 0.43902 6 0.1727013 0.013109 -0.06430 7 0.1770188 0.015124 -0.56243 8 0.1813363 0.007353 -1.04577 9 0.1856539 -0.004093 -1.50713 10 0.1899714 -0.011182 -1.94748 11 0.1942889 -0.009351 -2.37503 12 0.1986065 -0.000638 -2.79935 13 0.2029240 0.007830 3.05876 14 0.2072415 0.009279 2.63806 15 0.2115591 0.002820 2.23151 16 0.2158766 -0.005559 1.84368 17 0.2201941 -0.008082 1.46957 18 0.2245117 -0.002451 1.09938 19 0.2288292 0.005564 0.72750 20 0.2331467 0.007588 0.35825 21 0.2374643 0.001427 0.00129 22 0.2417818 -0.006132 -0.33951 23 0.2460993 -0.006515 -0.67043 24 0.2504169 0.000709 -1.00100 25 0.2547344 0.006883 -1.33351 26 0.2590519 0.004459 -1.66019 27 0.2633695 -0.003465 -1.97288 28 0.2676870 -0.006686 -2.27356 29 0.2720045 -0.000997 -2.57183 30 0.2763221 0.005977 -2.87312 31 0.2806396 0.004768 3.11158 32 0.2849571 -0.002902 2.82518 33 0.2892746 -0.006246 2.55064 34 0.2935922 -0.000591 2.27846 35 0.2979097 0.005737 2.00271 36 0.3022272 0.003404 1.72937 37 0.3065448 -0.004054 1.46779 38 0.3108623 -0.005372 1.21656 39 0.3151798 0.001352 0.96556 40 0.3194974 0.005636 0.71062 41 0.3238149 0.000872 0.46006 42 0.3281324 -0.005248 0.22178 43 0.3324500 -0.002953 -0.00935 44 0.3367675 0.003896 -0.24368 45 0.3410850 0.004099 -0.48057 46 0.3454026 -0.002500 -0.70906 47 0.3497201 -0.004818 -0.92605 48 0.3540376 0.000893 -1.14162 49 0.3583552 0.004791 -1.36268 50 0.3626727 0.000265 -1.58107 51 0.3669902 -0.004770 -1.78727 52 0.3713078 -0.001651 -1.98711 53 0.3756253 0.003980 -2.19212 54 0.3799428 0.002193 -2.39950 55 0.3842604 -0.003685 -2.59642 56 0.3885779 -0.003129 -2.78319 57 0.3928954 0.002683 -2.97314 58 0.3972129 0.003133 3.11428 59 0.4015305 -0.002466 2.92641 60 0.4058480 -0.003706 2.75118 61 0.4101655 0.001643 2.57498 62 0.4144831 0.003538 2.39056 63 0.4188006 -0.001510 2.21166 64 0.4231181 -0.003910 2.04740 65 0.4274357 0.000784 1.88414 66 0.4317532 0.003439 1.71080 67 0.4360707 -0.001032 1.54129 68 0.4403883 -0.003843 1.38827 69 0.4447058 0.000503 1.23735 70 0.4490233 0.003427 1.07413 71 0.4533409 -0.000759 0.91397 72 0.4576584 -0.003595 0.77270 73 0.4619759 0.000571 0.63368 74 0.4662935 0.003282 0.47960 75 0.4706110 -0.000834 0.32917 76 0.4749285 -0.003229 0.20076 77 0.4792461 0.000964 0.07305 78 0.4835636 0.003040 -0.07340 79 0.4878811 -0.001168 -0.21327 80 0.4921987 -0.002847 -0.32705 81 0.4965162 0.001283 -0.44412 82 0.5008337 0.002406 -0.58407 83 0.5051512 -0.001678 -0.71085 84 0.5094688 -0.002270 -0.80743 85 0.5137863 0.001699 -0.91567 86 0.5181038 0.001858 -1.05073 87 0.5224214 -0.001732 -1.16051 88 0.5267389 -0.001241 -1.23737 89 0.5310564 0.002253 -1.33998 90 0.5353740 0.001649 -1.46999 91 0.5396915 -0.001112 -1.55545 92 0.5440090 0.000268 -1.61025 93 0.5483266 0.003232 -1.71162 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42900244D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9907538E+00 0.5085694E-02 0.3868051E+00 1 0.2238037E-06 0.1387322E-01 0.1661197E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1145081E-04 0 26 1 0 0.2251287E-03 0 31 1 1 0.8026197E-04 0 13 3 -3 0.1148318E-05 0 17 3 -2 0.1061123E-04 0 22 3 -1 0.9228546E-04 0 27 3 0 0.2286693E-03 0 32 3 1 0.8598369E-03 0 36 3 2 0.2756601E-03 0 40 3 3 0.2511863E-04 0 7 5 -5 0.1069150E-07 0 10 5 -4 0.1125940E-06 0 14 5 -3 0.1059013E-05 0 18 5 -2 0.6601652E-05 0 23 5 -1 0.4493568E-04 0 28 5 0 0.3342994E-04 0 33 5 1 0.3730963E-02 0 37 5 2 0.6289105E-02 0 41 5 3 0.9217730E-03 0 44 5 4 0.1997212E-03 0 47 5 5 0.4006907E-04 0 3 7 -7 0.1641688E-09 0 5 7 -6 0.1411390E-08 0 8 7 -5 0.4186635E-08 0 11 7 -4 0.2735720E-06 0 15 7 -3 0.8631065E-07 0 19 7 -2 0.1900004E-04 0 24 7 -1 0.1528089E-04 0 29 7 0 0.5420958E-02 0 34 7 1 0.1255186E-01 0 38 7 2 0.9221632E+00 0 42 7 3 0.3244073E-01 0 45 7 4 0.4888000E-02 0 48 7 5 0.1674754E-03 0 50 7 6 0.8734748E-05 0 52 7 7 0.2483266E-06 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.7208206E-08 1 26 1 0 0.7213341E-07 1 31 1 1 0.1377823E-06 1 13 3 -3 0.8136741E-17 1 17 3 -2 0.1430184E-17 1 22 3 -1 0.1253384E-10 1 27 3 0 0.4894112E-19 1 32 3 1 0.3222419E-18 1 36 3 2 0.6667242E-08 1 40 3 3 0.1230297E-17 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.1305988E-08 1 0.5176725E-06 2 0.5554428E-05 3 0.4813071E-05 4 0.4851068E-06 5 0.4317451E-07 6 0.2350996E-07 7 0.8313175E-08 8 0.3459232E-08 9 0.7721747E-09 v, j, mj = 0 1 0 0 0.2936344E-14 1 0.3797943E-04 2 0.1419762E-03 3 0.4312310E-04 4 0.1821251E-05 5 0.1350252E-06 6 0.6995766E-07 7 0.1367229E-07 8 0.8585358E-08 9 0.1480952E-08 v, j, mj = 0 1 1 0 0.3938076E-17 1 0.4080270E-04 2 0.3157305E-04 3 0.6822585E-05 4 0.9255206E-06 5 0.6824982E-07 6 0.4473312E-07 7 0.2266490E-07 8 0.1598409E-08 9 0.8676750E-09 v, j, mj = 0 3 -3 0 0.8197880E-16 1 0.1994959E-08 2 0.8482533E-07 3 0.5178453E-06 4 0.4324493E-06 5 0.8480950E-07 6 0.2085783E-07 7 0.3420986E-08 8 0.1834208E-08 9 0.2807033E-09 v, j, mj = 0 3 -2 0 0.7866015E-15 1 0.8028935E-07 2 0.2502235E-05 3 0.5698483E-05 4 0.2117929E-05 5 0.1873997E-06 6 0.1238747E-07 7 0.9916766E-08 8 0.2507046E-08 9 0.7770236E-10 v, j, mj = 0 3 -1 0 0.8539208E-08 1 0.4350668E-05 2 0.4314034E-04 3 0.3893429E-04 4 0.5480690E-05 5 0.2894374E-06 6 0.6334082E-07 7 0.1232500E-07 8 0.5752022E-08 9 0.7064925E-10 v, j, mj = 0 3 0 0 0.4997589E-14 1 0.3818611E-04 2 0.1391378E-03 3 0.4515163E-04 4 0.5772775E-05 5 0.3692615E-06 6 0.3746163E-07 7 0.8709162E-08 8 0.5381828E-08 9 0.1665051E-09 v, j, mj = 0 3 1 0 0.2694888E-16 1 0.4694867E-03 2 0.3150545E-03 3 0.6498369E-04 4 0.9767487E-05 5 0.3683367E-06 6 0.1525811E-06 7 0.1934752E-07 8 0.4153854E-08 9 0.1426853E-09 v, j, mj = 0 3 2 0 0.9302970E-04 1 0.1168821E-03 2 0.3462198E-04 3 0.2305782E-04 4 0.7262622E-05 5 0.7728898E-06 6 0.2787735E-07 7 0.2099081E-08 8 0.3040467E-08 9 0.2252298E-10 v, j, mj = 0 3 3 0 0.3898369E-16 1 0.1085234E-04 2 0.1239060E-04 3 0.1216087E-05 4 0.3799739E-06 5 0.2418046E-06 6 0.3006289E-07 7 0.6209298E-08 8 0.1539627E-08 9 0.1438494E-10 v, j, mj = 0 5 -5 0 0.1934650E-16 1 0.1190685E-09 2 0.2193463E-09 3 0.2106033E-08 4 0.1194068E-08 5 0.3291081E-08 6 0.1522234E-08 7 0.2239666E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1289170E-09 1 0.1351223E-08 2 0.1214522E-07 3 0.3186425E-07 4 0.2194659E-07 5 0.5413536E-08 6 0.1979393E-07 7 0.1995029E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5533723E-16 1 0.6758319E-08 2 0.2087796E-06 3 0.5262479E-06 4 0.2389843E-06 5 0.3405191E-07 6 0.3448859E-07 7 0.9702590E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1370229E-15 1 0.4707550E-06 2 0.2812236E-05 3 0.2634064E-05 4 0.4693771E-06 5 0.1455430E-06 6 0.6188140E-07 7 0.7794854E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4099679E-07 1 0.5525677E-05 2 0.3511691E-04 3 0.3067822E-05 4 0.9592778E-06 5 0.1116716E-06 6 0.8192200E-07 7 0.3140295E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.8188512E-14 1 0.2451444E-05 2 0.1852993E-04 3 0.1151078E-04 4 0.7424454E-06 5 0.1800133E-06 6 0.1170604E-07 7 0.3628843E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4103561E-15 1 0.2888441E-02 2 0.8112736E-03 3 0.2057260E-04 4 0.9791669E-05 5 0.8261471E-06 6 0.2926017E-07 7 0.2806585E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2152221E-02 1 0.2811999E-02 2 0.1140570E-02 3 0.1792030E-03 4 0.4901018E-05 5 0.2008921E-06 6 0.8023809E-08 7 0.2447462E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1614827E-15 1 0.2557655E-03 2 0.4959230E-03 3 0.1573814E-03 4 0.1228364E-04 5 0.3284660E-06 6 0.6687410E-07 7 0.2423128E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2504504E-14 1 0.6446592E-05 2 0.8911101E-04 3 0.8763445E-04 4 0.1593695E-04 5 0.5608391E-06 6 0.1638814E-07 7 0.1498187E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1900019E-09 1 0.1637825E-06 2 0.8388307E-05 3 0.2311566E-04 4 0.7954763E-05 5 0.4308651E-06 6 0.1256703E-07 7 0.2931695E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.9574882E-12 1 0.1511048E-11 2 0.7890079E-11 3 0.1530191E-10 4 0.1086721E-10 5 0.1276410E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.8076609E-17 1 0.8246642E-10 2 0.2714182E-10 3 0.8609508E-10 4 0.5325631E-09 5 0.6831232E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.7950245E-17 1 0.1569061E-08 2 0.1665048E-09 3 0.3401678E-09 4 0.3314540E-09 5 0.1779448E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3216581E-07 1 0.4613169E-07 2 0.1054224E-06 3 0.9766951E-08 4 0.5859135E-07 5 0.2149378E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8823059E-18 1 0.7248065E-08 2 0.2700317E-07 3 0.4317170E-07 4 0.5912078E-08 5 0.2975640E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9988363E-17 1 0.4259896E-05 2 0.1201663E-04 3 0.9797862E-06 4 0.1620490E-05 5 0.1232350E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3108415E-07 1 0.1061897E-04 2 0.3589561E-05 3 0.9191298E-06 4 0.1190698E-06 5 0.3077546E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2430498E-15 1 0.4185494E-02 2 0.1188317E-02 3 0.4271176E-04 4 0.4320601E-05 5 0.1146190E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1131713E-16 1 0.9994834E-02 2 0.2457256E-02 3 0.9779724E-04 4 0.1952809E-05 5 0.1463854E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.5154641E+00 1 0.3678297E+00 2 0.3771047E-01 3 0.1141831E-02 4 0.1662681E-04 5 0.4541669E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1892514E-17 1 0.2392594E-01 2 0.8142069E-02 3 0.3676697E-03 4 0.5013524E-05 5 0.4379291E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2300373E-15 1 0.2535895E-02 2 0.2157725E-02 3 0.1865309E-03 4 0.7710734E-05 5 0.1385777E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3082846E-06 1 0.1971767E-04 2 0.1208739E-03 3 0.2528648E-04 4 0.1078570E-05 5 0.2105258E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.9014846E-16 1 0.1668796E-05 2 0.4052722E-05 3 0.1870727E-05 4 0.8784464E-06 5 0.2640562E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3952225E-17 1 0.3331539E-07 2 0.5746692E-07 3 0.5322911E-07 4 0.2343343E-07 5 0.8088179E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1576895E-10 1 0.3818516E-10 2 0.5390336E-08 3 0.1763916E-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 1 0 0 0.5472029E-17 1 0.5197890E-07 2 0.1724955E-07 3 0.2904956E-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 1 1 0 0.1114073E-17 1 0.1031136E-06 2 0.3394416E-07 3 0.7245548E-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 3 -3 0 0.8136741E-17 1 0.0000000E+00 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 3 -2 0 0.1430184E-17 1 0.0000000E+00 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 3 -1 0 0.1253384E-10 1 0.0000000E+00 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 3 0 0 0.4894112E-19 1 0.0000000E+00 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 3 1 0 0.3222419E-18 1 0.0000000E+00 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 3 2 0 0.6667242E-08 1 0.0000000E+00 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 3 3 0 0.1230297E-17 1 0.0000000E+00 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 = 0.9907540 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.386805 average diffraction energy (ev) = 0.005086 the reaction probability = 0.9246005D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42328815D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1004146E+01 0.6310286E-02 0.3823128E+00 1 0.2195802E-05 0.1276449E-01 0.4626860E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7167267E-04 0 26 1 0 0.9761141E-03 0 31 1 1 0.2450617E-03 0 13 3 -3 0.6594512E-05 0 17 3 -2 0.7156580E-04 0 22 3 -1 0.5146344E-03 0 27 3 0 0.1046705E-02 0 32 3 1 0.2761919E-02 0 36 3 2 0.8246093E-03 0 40 3 3 0.9445595E-04 0 7 5 -5 0.4933760E-07 0 10 5 -4 0.7054189E-06 0 14 5 -3 0.8834003E-05 0 18 5 -2 0.5028247E-04 0 23 5 -1 0.2525375E-03 0 28 5 0 0.2463835E-03 0 33 5 1 0.1120139E-01 0 37 5 2 0.1298171E-01 0 41 5 3 0.2721437E-02 0 44 5 4 0.6879671E-03 0 47 5 5 0.1980306E-03 0 3 7 -7 0.4038859E-09 0 5 7 -6 0.2629718E-08 0 8 7 -5 0.9931010E-08 0 11 7 -4 0.3357057E-06 0 15 7 -3 0.3265306E-06 0 19 7 -2 0.4740815E-04 0 24 7 -1 0.5095212E-04 0 29 7 0 0.1113925E-01 0 34 7 1 0.2812800E-01 0 38 7 2 0.8454394E+00 0 42 7 3 0.7129312E-01 0 45 7 4 0.1205645E-01 0 48 7 5 0.9779193E-03 0 50 7 6 0.4366346E-04 0 52 7 7 0.8912893E-06 0 1 9 -9 0.1624935E-12 0 2 9 -8 0.2583716E-12 0 4 9 -7 0.2010926E-11 0 6 9 -6 0.4566971E-10 0 9 9 -5 0.3932873E-09 0 12 9 -4 0.7030175E-07 0 16 9 -3 0.6242250E-09 0 20 9 -2 0.1016693E-06 0 25 9 -1 0.6483997E-07 0 30 9 0 0.1270414E-06 0 35 9 1 0.7467074E-06 0 39 9 2 0.3598857E-05 0 43 9 3 0.1603389E-06 0 46 9 4 0.2529247E-06 0 49 9 5 0.2610023E-07 0 51 9 6 0.5381600E-06 0 53 9 7 0.4601709E-08 0 54 9 8 0.2956268E-07 0 55 9 9 0.1239242E-09 1 21 1 -1 0.2238504E-07 1 26 1 0 0.2984442E-06 1 31 1 1 0.9012494E-06 1 13 3 -3 0.4529702E-09 1 17 3 -2 0.6497187E-09 1 22 3 -1 0.6327209E-08 1 27 3 0 0.1505857E-06 1 32 3 1 0.2118204E-06 1 36 3 2 0.5626311E-06 1 40 3 3 0.4125614E-07 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2094185E-08 1 0.4173585E-05 2 0.3975234E-04 3 0.2581976E-04 4 0.1811896E-05 5 0.7822767E-07 6 0.2044254E-07 7 0.1012668E-07 8 0.2458971E-08 9 0.1742158E-08 v, j, mj = 0 1 0 0 0.2752239E-13 1 0.1997106E-03 2 0.6503876E-03 3 0.1241591E-03 4 0.1331806E-05 5 0.3526020E-06 6 0.1143266E-06 7 0.4595079E-07 8 0.8154367E-08 9 0.3938414E-08 v, j, mj = 0 1 1 0 0.8316989E-16 1 0.1530844E-03 2 0.6848661E-04 3 0.1952902E-04 4 0.3690493E-05 5 0.1316156E-06 6 0.1047894E-06 7 0.3072925E-07 8 0.3047758E-08 9 0.1014835E-08 v, j, mj = 0 3 -3 0 0.6371945E-15 1 0.1765670E-07 2 0.6027453E-06 3 0.3093451E-05 4 0.2395912E-05 5 0.4510940E-06 6 0.2573381E-07 7 0.5210585E-08 8 0.1833935E-08 9 0.8736550E-09 v, j, mj = 0 3 -2 0 0.1313947E-13 1 0.4925413E-06 2 0.2159313E-04 3 0.3762251E-04 4 0.1102698E-04 5 0.8092561E-06 6 0.1366533E-07 7 0.4503020E-08 8 0.2776741E-08 9 0.4301991E-09 v, j, mj = 0 3 -1 0 0.9161072E-08 1 0.2871872E-04 2 0.2791010E-03 3 0.1892548E-03 4 0.1680194E-04 5 0.6556033E-06 6 0.6859013E-07 7 0.1573992E-07 8 0.5328907E-08 9 0.3490775E-08 v, j, mj = 0 3 0 0 0.5069471E-13 1 0.1922679E-03 2 0.6616917E-03 3 0.1738415E-03 4 0.1779777E-04 5 0.9748891E-06 6 0.1148668E-06 7 0.8257525E-08 8 0.7006384E-08 9 0.6239447E-09 v, j, mj = 0 3 1 0 0.1978880E-15 1 0.1859256E-02 2 0.7122333E-03 3 0.1549485E-03 4 0.3315455E-04 5 0.2135895E-05 6 0.1769308E-06 7 0.8968801E-08 8 0.4508180E-08 9 0.5540356E-09 v, j, mj = 0 3 2 0 0.3226058E-03 1 0.3083199E-03 2 0.1296621E-03 3 0.4644967E-04 4 0.1559950E-04 5 0.1871384E-05 6 0.8694960E-07 7 0.8531982E-08 8 0.5008028E-08 9 0.3593688E-09 v, j, mj = 0 3 3 0 0.7797114E-15 1 0.3621482E-04 2 0.4710630E-04 3 0.8416497E-05 4 0.9972997E-06 5 0.1414621E-05 6 0.2883767E-06 7 0.1508881E-07 8 0.1708016E-08 9 0.1245031E-08 v, j, mj = 0 5 -5 0 0.4014067E-15 1 0.5659609E-09 2 0.2776378E-09 3 0.1310054E-07 4 0.1467740E-07 5 0.6130416E-08 6 0.6275300E-08 7 0.5243949E-08 8 0.3066388E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1635366E-08 1 0.1378133E-08 2 0.7014281E-07 3 0.3391473E-06 4 0.2346220E-06 5 0.2813862E-07 6 0.1213522E-07 7 0.6294265E-08 8 0.1192526E-07 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5617155E-15 1 0.2640334E-07 2 0.1954847E-05 3 0.4913028E-05 4 0.1768674E-05 5 0.9160923E-07 6 0.5384358E-07 7 0.2136841E-07 8 0.4229256E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.4969314E-14 1 0.1321841E-05 2 0.2211653E-04 3 0.2303025E-04 4 0.3630613E-05 5 0.1295378E-06 6 0.4676906E-07 7 0.3123686E-08 8 0.3811910E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4968669E-07 1 0.3187652E-04 2 0.1863296E-03 3 0.3169788E-04 4 0.2322811E-05 5 0.1914254E-06 6 0.2143848E-07 7 0.4391513E-07 8 0.4187579E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1723677E-12 1 0.1053589E-04 2 0.1566671E-03 3 0.7297169E-04 4 0.5783215E-05 5 0.3920692E-06 6 0.2917843E-07 7 0.2835786E-08 8 0.1503336E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3065861E-14 1 0.9375927E-02 2 0.1696133E-02 3 0.1041638E-03 4 0.2344959E-04 5 0.1659403E-05 6 0.3119808E-07 7 0.2552413E-07 8 0.2606389E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.5356858E-02 1 0.4355941E-02 2 0.2715885E-02 3 0.5342985E-03 4 0.1836150E-04 5 0.3425197E-06 6 0.1494332E-07 7 0.1336069E-08 8 0.2250313E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2185507E-14 1 0.8038138E-03 2 0.1358966E-02 3 0.5040769E-03 4 0.5238067E-04 5 0.2098019E-05 6 0.5641000E-07 7 0.3973825E-07 8 0.5495824E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2908176E-13 1 0.1397641E-04 2 0.2864462E-03 3 0.3102390E-03 4 0.7296864E-04 5 0.4261488E-05 6 0.6097678E-07 7 0.4515226E-08 8 0.9885846E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.2675014E-08 1 0.2485185E-06 2 0.2615133E-04 3 0.1073543E-03 4 0.5823681E-04 5 0.5923978E-05 6 0.1042745E-06 7 0.5912556E-08 8 0.2752954E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.3838042E-11 1 0.2100498E-11 2 0.2336753E-10 3 0.1883834E-10 4 0.3203163E-10 5 0.2127530E-09 6 0.1109568E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1532380E-16 1 0.1450881E-09 2 0.2972210E-09 3 0.2999530E-09 4 0.5921867E-09 5 0.7854210E-09 6 0.5098483E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3099952E-16 1 0.9874228E-09 2 0.4308736E-09 3 0.1144886E-08 4 0.6521864E-09 5 0.6211476E-08 6 0.5041657E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2102687E-07 1 0.3188885E-07 2 0.1633106E-06 3 0.4517041E-07 4 0.5798842E-07 5 0.1294559E-07 6 0.3374928E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2136674E-15 1 0.1528806E-08 2 0.6696677E-07 3 0.2199656E-06 4 0.2641233E-07 5 0.1134656E-07 6 0.3105238E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1316861E-15 1 0.1185561E-04 2 0.3184934E-04 3 0.2052474E-05 4 0.1580806E-05 5 0.6514617E-07 6 0.4766894E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4592286E-07 1 0.2403137E-04 2 0.2272481E-04 3 0.3875897E-05 4 0.2391864E-06 5 0.2962461E-07 6 0.5307173E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1177510E-13 1 0.8516641E-02 2 0.2493321E-02 3 0.1191007E-03 4 0.9959433E-05 5 0.5617123E-07 6 0.1681151E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3746806E-15 1 0.2296650E-01 2 0.4917950E-02 3 0.2341641E-03 4 0.9312588E-05 5 0.6457881E-07 6 0.8918655E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4689285E+00 1 0.3349090E+00 2 0.3908940E-01 3 0.2452131E-02 4 0.5992118E-04 5 0.4521313E-06 6 0.1077669E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2801013E-15 1 0.5091612E-01 2 0.1933487E-01 3 0.1014441E-02 4 0.2746617E-04 5 0.2089303E-06 6 0.9753008E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.8799259E-14 1 0.3588783E-02 2 0.7275704E-02 3 0.1152752E-02 4 0.3906166E-04 5 0.1424164E-06 6 0.8597207E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.4552265E-06 1 0.7229379E-04 2 0.6187572E-03 3 0.2716517E-03 4 0.1404061E-04 5 0.6948977E-06 6 0.2583261E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1351643E-14 1 0.1715392E-05 2 0.1859991E-04 3 0.2124722E-04 4 0.1873497E-05 5 0.9901676E-07 6 0.1284227E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.6185356E-16 1 0.2071862E-07 2 0.2431067E-06 3 0.4287359E-06 4 0.1183095E-06 5 0.6448944E-07 6 0.1592924E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3315075E-16 1 0.8758794E-13 2 0.7487236E-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 9 -8 0 0.6249121E-16 1 0.5806556E-13 2 0.2002435E-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 9 -7 0 0.7216586E-13 1 0.1397069E-11 2 0.5416908E-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 9 -6 0 0.1215314E-15 1 0.1393327E-10 2 0.3173632E-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 9 -5 0 0.3984502E-17 1 0.5388151E-10 2 0.3394058E-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 9 -4 0 0.3277472E-08 1 0.6021813E-07 2 0.6806151E-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 9 -3 0 0.3930008E-17 1 0.5116694E-09 2 0.1125556E-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 9 -2 0 0.1824532E-17 1 0.9748309E-07 2 0.4186246E-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 9 -1 0 0.4524888E-09 1 0.6067706E-07 2 0.3710419E-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 9 0 0 0.1769217E-16 1 0.1098215E-06 2 0.1721988E-07 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 9 1 0 0.3122267E-18 1 0.7137171E-06 2 0.3299032E-07 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 9 2 0 0.2249778E-05 1 0.1130847E-05 2 0.2182314E-06 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 9 3 0 0.8597462E-18 1 0.6679835E-07 2 0.9354060E-07 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 9 4 0 0.2146604E-16 1 0.2021777E-06 2 0.5074701E-07 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 9 5 0 0.6336097E-08 1 0.1556305E-07 2 0.4201085E-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 9 6 0 0.1824472E-16 1 0.5195861E-06 2 0.1857389E-07 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 9 7 0 0.5998240E-17 1 0.4513773E-08 2 0.8793605E-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 9 8 0 0.5636896E-08 1 0.1984655E-07 2 0.4079235E-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 9 9 0 0.6855719E-17 1 0.3751483E-10 2 0.8640939E-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 1 -1 0 0.4731438E-10 1 0.4987747E-08 2 0.5987893E-09 3 0.1440385E-07 4 0.2347337E-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 1 0 0 0.2148788E-16 1 0.2154808E-06 2 0.4910508E-07 3 0.1692635E-07 4 0.1693202E-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 1 1 0 0.2387755E-16 1 0.8415996E-06 2 0.2411038E-07 3 0.2806907E-07 4 0.7470404E-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 3 -3 0 0.1766635E-16 1 0.2122589E-11 2 0.2639897E-09 3 0.1868579E-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 3 -2 0 0.1374239E-17 1 0.1022508E-09 2 0.2664557E-09 3 0.2810122E-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 3 -1 0 0.7537283E-10 1 0.5503355E-09 2 0.4518950E-08 3 0.1182551E-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 3 0 0 0.4588307E-18 1 0.1239306E-06 2 0.2621136E-07 3 0.4437516E-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 3 1 0 0.1217609E-17 1 0.1252520E-06 2 0.8200753E-07 3 0.4560889E-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 3 2 0 0.1479787E-06 1 0.3690320E-06 2 0.4489856E-07 3 0.7219130E-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 3 3 0 0.1472651E-17 1 0.1341535E-07 2 0.2708624E-07 3 0.7545466E-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 sum of the probabilities = 1.0041483 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.382312 average diffraction energy (ev) = 0.006310 the reaction probability = -0.4148344D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41757387D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9964407E+00 0.7694582E-02 0.3741736E+00 1 0.5403862E-04 0.1155275E-01 0.5475301E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3166864E-03 0 26 1 0 0.3087370E-02 0 31 1 1 0.5237318E-03 0 13 3 -3 0.2228626E-04 0 17 3 -2 0.2995585E-03 0 22 3 -1 0.1839992E-02 0 27 3 0 0.2903022E-02 0 32 3 1 0.6209681E-02 0 36 3 2 0.1671720E-02 0 40 3 3 0.1908566E-03 0 7 5 -5 0.4829522E-06 0 10 5 -4 0.6403884E-05 0 14 5 -3 0.6520681E-04 0 18 5 -2 0.3260258E-03 0 23 5 -1 0.1167701E-02 0 28 5 0 0.1165268E-02 0 33 5 1 0.2395861E-01 0 37 5 2 0.2071334E-01 0 41 5 3 0.5603778E-02 0 44 5 4 0.1489869E-02 0 47 5 5 0.5228646E-03 0 3 7 -7 0.1331840E-08 0 5 7 -6 0.5622154E-08 0 8 7 -5 0.3059440E-07 0 11 7 -4 0.6827923E-06 0 15 7 -3 0.1560117E-05 0 19 7 -2 0.1435386E-03 0 24 7 -1 0.1719268E-03 0 29 7 0 0.2060707E-01 0 34 7 1 0.5153126E-01 0 38 7 2 0.6940787E+00 0 42 7 3 0.1227747E+00 0 45 7 4 0.2952089E-01 0 48 7 5 0.5001151E-02 0 50 7 6 0.4219187E-03 0 52 7 7 0.1497943E-04 0 1 9 -9 0.3089811E-11 0 2 9 -8 0.5271947E-11 0 4 9 -7 0.8280835E-11 0 6 9 -6 0.3710635E-09 0 9 9 -5 0.1475030E-08 0 12 9 -4 0.2021385E-07 0 16 9 -3 0.3762624E-08 0 20 9 -2 0.1681251E-06 0 25 9 -1 0.2275262E-06 0 30 9 0 0.1775307E-05 0 35 9 1 0.1162383E-05 0 39 9 2 0.6877077E-04 0 43 9 3 0.1389205E-04 0 46 9 4 0.9926032E-06 0 49 9 5 0.2236085E-06 0 51 9 6 0.5740998E-06 0 53 9 7 0.1983055E-07 0 54 9 8 0.2180874E-07 0 55 9 9 0.1648704E-08 1 21 1 -1 0.1545776E-06 1 26 1 0 0.3461226E-05 1 31 1 1 0.2006554E-04 1 13 3 -3 0.3844048E-08 1 17 3 -2 0.8810946E-08 1 22 3 -1 0.3149058E-07 1 27 3 0 0.6563574E-06 1 32 3 1 0.2553021E-05 1 36 3 2 0.2444305E-04 1 40 3 3 0.2660583E-05 1 7 5 -5 0.2968235E-18 1 10 5 -4 0.5571804E-12 1 14 5 -3 0.1302301E-19 1 18 5 -2 0.4202686E-19 1 23 5 -1 0.1957728E-12 1 28 5 0 0.6398247E-18 1 33 5 1 0.4611858E-20 1 37 5 2 0.1198412E-09 1 41 5 3 0.8571811E-20 1 44 5 4 0.2052880E-18 1 47 5 5 0.1301242E-11 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.1169010E-07 1 0.2120441E-04 2 0.1955426E-03 3 0.9579197E-04 4 0.3583085E-05 5 0.3537220E-06 6 0.1548014E-06 7 0.3425602E-07 8 0.8471477E-08 9 0.1415542E-08 v, j, mj = 0 1 0 0 0.1307877E-12 1 0.6783125E-03 2 0.2133380E-02 3 0.2718875E-03 4 0.2905249E-05 5 0.6647017E-06 6 0.1672861E-06 7 0.4367248E-07 8 0.6939190E-08 9 0.2235071E-08 v, j, mj = 0 1 1 0 0.6296341E-15 1 0.3962944E-03 2 0.7612288E-04 3 0.4432092E-04 4 0.5910734E-05 5 0.5079108E-06 6 0.4180061E-06 7 0.1442142E-06 8 0.1189588E-07 9 0.7916117E-09 v, j, mj = 0 3 -3 0 0.4268524E-14 1 0.1184709E-06 2 0.3266670E-05 3 0.1168470E-04 4 0.6058587E-05 5 0.1039194E-05 6 0.1095774E-06 7 0.6815382E-08 8 0.1445564E-08 9 0.7997822E-09 v, j, mj = 0 3 -2 0 0.1163088E-12 1 0.2579155E-05 2 0.1242602E-03 3 0.1446002E-03 4 0.2638875E-04 5 0.1664064E-05 6 0.5653332E-07 7 0.6273961E-08 8 0.1840448E-08 9 0.1457407E-08 v, j, mj = 0 3 -1 0 0.5547766E-07 1 0.1380844E-03 2 0.1155078E-02 3 0.5249208E-03 4 0.2065631E-04 5 0.1090488E-05 6 0.8693072E-07 7 0.1212296E-07 8 0.6312632E-08 9 0.1325061E-08 v, j, mj = 0 3 0 0 0.3061440E-12 1 0.5631362E-03 2 0.1936599E-02 3 0.3771077E-03 4 0.2366083E-04 5 0.2215642E-05 6 0.2727525E-06 7 0.2488615E-07 8 0.1980158E-08 9 0.2412114E-08 v, j, mj = 0 3 1 0 0.3339455E-14 1 0.5024157E-02 2 0.8943990E-03 3 0.2363764E-03 4 0.4860497E-04 5 0.5854971E-05 6 0.2594722E-06 7 0.2522768E-07 8 0.3815574E-08 9 0.2389992E-09 v, j, mj = 0 3 2 0 0.7325453E-03 1 0.5017442E-03 2 0.3754853E-03 3 0.4310412E-04 4 0.1630130E-04 5 0.2282631E-05 6 0.2402545E-06 7 0.1359510E-07 8 0.1591968E-08 9 0.1211892E-08 v, j, mj = 0 3 3 0 0.6194993E-14 1 0.6946888E-04 2 0.9418993E-04 3 0.1935962E-04 4 0.1727966E-05 5 0.4256197E-05 6 0.1709442E-05 7 0.1371842E-06 8 0.5659667E-08 9 0.1710671E-08 v, j, mj = 0 5 -5 0 0.3635449E-14 1 0.8757142E-09 2 0.7368228E-08 3 0.1562106E-06 4 0.2447412E-06 5 0.6138207E-07 6 0.6490836E-08 7 0.2191167E-08 8 0.3692405E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8823132E-09 1 0.1479767E-08 2 0.5653119E-06 3 0.3514463E-05 4 0.2029116E-05 5 0.2452920E-06 6 0.3408121E-07 7 0.6029025E-08 8 0.7229149E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.4187845E-14 1 0.1074374E-06 2 0.1643235E-04 3 0.3713662E-04 4 0.1091025E-04 5 0.5397017E-06 6 0.5124588E-07 7 0.2418818E-07 8 0.5026250E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.6596071E-13 1 0.8324776E-05 2 0.1481089E-03 3 0.1503091E-03 4 0.1890338E-04 5 0.3386181E-06 6 0.3593106E-07 7 0.3414370E-08 8 0.1571006E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1332007E-06 1 0.1339026E-03 2 0.7902289E-03 3 0.2234943E-03 4 0.1921751E-04 5 0.6513033E-06 6 0.2896329E-07 7 0.3283085E-07 8 0.1142850E-07 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1469118E-11 1 0.7916071E-04 2 0.7371550E-03 3 0.3156873E-03 4 0.3201338E-04 5 0.1159148E-05 6 0.8661752E-07 7 0.3383547E-08 8 0.2052404E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1440592E-13 1 0.2112434E-01 2 0.2233400E-02 3 0.5298065E-03 4 0.6821101E-04 5 0.2774588E-05 6 0.5964698E-07 7 0.8993475E-08 8 0.9119413E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1106778E-01 1 0.3818197E-02 2 0.4906809E-02 3 0.9009962E-03 4 0.1853426E-04 5 0.9740118E-06 6 0.4311174E-07 7 0.3908498E-08 8 0.1602783E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1381336E-13 1 0.1967559E-02 2 0.2311992E-02 3 0.1148860E-02 4 0.1649272E-03 5 0.1023216E-04 6 0.1619078E-06 7 0.4277677E-07 8 0.3376253E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1535978E-12 1 0.4522124E-04 2 0.6056447E-03 3 0.6744558E-03 4 0.1534120E-03 5 0.1089306E-04 6 0.2341147E-06 7 0.4541882E-08 8 0.3968436E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1829836E-07 1 0.1290755E-06 2 0.5762125E-04 3 0.2681838E-03 4 0.1677472E-03 5 0.2823514E-04 6 0.9152852E-06 7 0.1144816E-07 8 0.3107197E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1636551E-10 1 0.2484597E-10 2 0.3223809E-09 3 0.1810461E-09 4 0.1600753E-09 5 0.2004197E-09 6 0.1896721E-09 7 0.2370344E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4921456E-15 1 0.6732831E-09 2 0.1003707E-08 3 0.8156848E-09 4 0.6073430E-09 5 0.9361840E-09 6 0.1230445E-08 7 0.3555065E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1523068E-14 1 0.4286560E-08 2 0.5419019E-08 3 0.6385874E-08 4 0.4943183E-08 5 0.7608085E-08 6 0.1757697E-08 7 0.1939844E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.8513294E-07 1 0.1626467E-07 2 0.2482541E-06 3 0.2586235E-06 4 0.5805355E-07 5 0.9846821E-08 6 0.6574437E-08 7 0.4224057E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2272750E-14 1 0.1575198E-07 2 0.3604942E-06 3 0.1054046E-05 4 0.1055409E-06 5 0.2233424E-07 6 0.1798085E-08 7 0.1512316E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3207028E-14 1 0.3298268E-04 2 0.1048088E-03 3 0.4594231E-05 4 0.1089148E-05 5 0.5087735E-07 6 0.1181019E-07 7 0.1149315E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.7643220E-07 1 0.5947623E-04 2 0.1051568E-03 3 0.6739492E-05 4 0.4289340E-06 5 0.4242841E-07 6 0.5889377E-08 7 0.5963615E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3392222E-12 1 0.1663334E-01 2 0.3795552E-02 3 0.1541711E-03 4 0.2370626E-04 5 0.1996565E-06 6 0.1032553E-06 7 0.1313232E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6536379E-14 1 0.4562919E-01 2 0.5345495E-02 3 0.5236964E-03 4 0.3253446E-04 5 0.3324365E-06 6 0.1127569E-07 7 0.1384725E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4313631E+00 1 0.2307655E+00 2 0.2811476E-01 3 0.3723972E-02 4 0.1098958E-03 5 0.1440617E-05 6 0.5635003E-07 7 0.9702477E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3638153E-14 1 0.9240667E-01 2 0.2876966E-01 3 0.1482528E-02 4 0.1143023E-03 5 0.1532289E-05 6 0.1975607E-07 7 0.8041255E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2380870E-12 1 0.5707836E-02 2 0.1981296E-01 3 0.3840529E-02 4 0.1578735E-03 5 0.1684594E-05 6 0.9501023E-08 7 0.5713682E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.5389504E-06 1 0.3085363E-03 2 0.2703374E-02 3 0.1828254E-02 4 0.1576569E-03 5 0.2682346E-05 6 0.1068447E-06 7 0.1910320E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4084124E-13 1 0.2343867E-06 2 0.1340289E-03 3 0.2468975E-03 4 0.3970154E-04 5 0.9294127E-06 6 0.1253969E-06 7 0.1587664E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1753634E-14 1 0.5927540E-07 2 0.2590461E-05 3 0.9128294E-05 4 0.3077773E-05 5 0.9124899E-07 6 0.2998902E-07 7 0.2383922E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1055713E-16 1 0.2603186E-12 2 0.1081381E-11 3 0.1686966E-11 4 0.6113547E-13 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 0.1193112E-16 1 0.6395496E-12 2 0.2156113E-11 3 0.2447955E-11 4 0.2831780E-13 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 0.2528954E-13 1 0.1416480E-11 2 0.1087132E-11 3 0.5691288E-11 4 0.6064523E-13 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 0.1735309E-16 1 0.1730841E-09 2 0.3454394E-10 3 0.1632687E-09 4 0.1667696E-12 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 0.1783579E-17 1 0.3767112E-09 2 0.3075281E-09 3 0.7892931E-09 4 0.1497498E-11 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 0.1038950E-07 1 0.3736092E-08 2 0.3942853E-08 3 0.2139987E-08 4 0.5417393E-11 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 0.5344188E-17 1 0.1602417E-09 2 0.2274728E-08 3 0.1320981E-08 4 0.6672947E-11 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 0.4845376E-16 1 0.1361542E-06 2 0.1490999E-07 3 0.1705111E-07 4 0.9809720E-11 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 0.3746351E-08 1 0.1010279E-06 2 0.4380089E-07 3 0.7894124E-07 4 0.9793085E-11 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 0.2865184E-16 1 0.1284009E-05 2 0.2345602E-06 3 0.2566589E-06 4 0.7911516E-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 1 0 0.1367098E-16 1 0.5829538E-06 2 0.3964844E-06 3 0.1828377E-06 4 0.1070434E-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 2 0 0.3982942E-04 1 0.2730461E-04 2 0.1340892E-05 3 0.2958258E-06 4 0.3261177E-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 3 0 0.1081817E-16 1 0.1109426E-04 2 0.2643502E-05 3 0.1541474E-06 4 0.1416284E-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 0.4559121E-17 1 0.1656736E-06 2 0.6583111E-06 3 0.1685368E-06 4 0.8171837E-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 5 0 0.6515753E-09 1 0.1191485E-07 2 0.1698651E-07 3 0.1938842E-06 4 0.1713778E-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 0.1298592E-16 1 0.4392670E-06 2 0.1181942E-06 3 0.1661677E-07 4 0.2189091E-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 0.7452999E-17 1 0.7300249E-08 2 0.9128110E-08 3 0.3379109E-08 4 0.2308383E-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 0.3565606E-08 1 0.9832141E-08 2 0.2241328E-08 3 0.6155468E-08 4 0.1419614E-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 9 0 0.9585636E-17 1 0.1830318E-09 2 0.5848519E-09 3 0.8719604E-09 4 0.8859619E-11 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 0.1946949E-08 1 0.6246297E-07 2 0.5649142E-07 3 0.2574569E-07 4 0.5045679E-08 5 0.2884884E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2202011E-14 1 0.8026099E-06 2 0.2405076E-05 3 0.2390558E-06 4 0.1027907E-07 5 0.4205436E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.7190163E-16 1 0.1554168E-04 2 0.3743894E-05 3 0.7638404E-06 4 0.1175362E-07 5 0.4373315E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.7352298E-17 1 0.9664301E-10 2 0.3595169E-09 3 0.2131575E-08 4 0.1256313E-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 3 -2 0 0.3123606E-17 1 0.4152766E-09 2 0.2093565E-08 3 0.4582871E-08 4 0.1719234E-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 3 -1 0 0.4354998E-09 1 0.9212569E-08 2 0.5654444E-08 3 0.1514987E-07 4 0.1038199E-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 3 0 0 0.9690720E-16 1 0.3967027E-06 2 0.2312582E-06 3 0.2783421E-07 4 0.5622083E-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 3 1 0 0.1518321E-16 1 0.2417274E-05 2 0.1196942E-06 3 0.1124223E-07 4 0.4809864E-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 3 2 0 0.7953590E-05 1 0.1459382E-04 2 0.1870299E-05 3 0.2437767E-07 4 0.9644218E-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 3 3 0 0.1599639E-16 1 0.1712701E-05 2 0.8776138E-06 3 0.6742299E-07 4 0.2845173E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9964947 average vibrational energy (ev) = 0.000028 average rotational energy (ev) = 0.374156 average diffraction energy (ev) = 0.007695 the reaction probability = 0.3505262D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41185958D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9962441E+00 0.9906724E-02 0.3629711E+00 1 0.9957489E-03 0.1663403E-01 0.5573280E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.9492509E-03 0 26 1 0 0.7495167E-02 0 31 1 1 0.1052736E-02 0 13 3 -3 0.4622726E-04 0 17 3 -2 0.8272537E-03 0 22 3 -1 0.4583293E-02 0 27 3 0 0.5416759E-02 0 32 3 1 0.1096675E-01 0 36 3 2 0.2694914E-02 0 40 3 3 0.2293141E-03 0 7 5 -5 0.4616658E-05 0 10 5 -4 0.4343836E-04 0 14 5 -3 0.3468058E-03 0 18 5 -2 0.1498291E-02 0 23 5 -1 0.4016798E-02 0 28 5 0 0.3451807E-02 0 33 5 1 0.3757780E-01 0 37 5 2 0.2812151E-01 0 41 5 3 0.9258566E-02 0 44 5 4 0.2204132E-02 0 47 5 5 0.8254309E-03 0 3 7 -7 0.6849947E-08 0 5 7 -6 0.1508291E-07 0 8 7 -5 0.1952457E-06 0 11 7 -4 0.3448916E-05 0 15 7 -3 0.1119291E-04 0 19 7 -2 0.4190813E-03 0 24 7 -1 0.5113226E-03 0 29 7 0 0.3385787E-01 0 34 7 1 0.7715483E-01 0 38 7 2 0.5202498E+00 0 42 7 3 0.1616420E+00 0 45 7 4 0.5863694E-01 0 48 7 5 0.1772532E-01 0 50 7 6 0.3242715E-02 0 52 7 7 0.3105198E-03 0 1 9 -9 0.2477819E-10 0 2 9 -8 0.3104066E-10 0 4 9 -7 0.7717369E-10 0 6 9 -6 0.1603775E-08 0 9 9 -5 0.2411647E-08 0 12 9 -4 0.8312166E-07 0 16 9 -3 0.2733426E-07 0 20 9 -2 0.4551456E-06 0 25 9 -1 0.3119601E-06 0 30 9 0 0.1476135E-04 0 35 9 1 0.2674303E-04 0 39 9 2 0.6320650E-03 0 43 9 3 0.1809158E-03 0 46 9 4 0.9711173E-05 0 49 9 5 0.1110080E-05 0 51 9 6 0.1546916E-05 0 53 9 7 0.1005707E-06 0 54 9 8 0.5193804E-07 0 55 9 9 0.2330753E-07 1 21 1 -1 0.1129325E-04 1 26 1 0 0.5511373E-04 1 31 1 1 0.3578716E-03 1 13 3 -3 0.1550016E-07 1 17 3 -2 0.9985574E-07 1 22 3 -1 0.3430090E-06 1 27 3 0 0.9932975E-05 1 32 3 1 0.7709256E-04 1 36 3 2 0.2735617E-03 1 40 3 3 0.2095613E-03 1 7 5 -5 0.1310045E-09 1 10 5 -4 0.6795732E-09 1 14 5 -3 0.1828621E-09 1 18 5 -2 0.6242818E-08 1 23 5 -1 0.6390293E-08 1 28 5 0 0.2208153E-07 1 33 5 1 0.1434874E-06 1 37 5 2 0.5946785E-06 1 41 5 3 0.6241921E-07 1 44 5 4 0.1795230E-07 1 47 5 5 0.9141878E-08 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.6002287E-07 1 0.7667795E-04 2 0.6416927E-03 3 0.2254982E-03 4 0.2808587E-05 5 0.1191147E-05 6 0.1014875E-05 7 0.2731137E-06 8 0.3362870E-07 9 0.7662069E-09 v, j, mj = 0 1 0 0 0.4664048E-12 1 0.1516659E-02 2 0.5286509E-02 3 0.6689216E-03 4 0.2103613E-04 5 0.1388371E-05 6 0.5994817E-06 7 0.4157353E-07 8 0.9393168E-08 9 0.2030351E-08 v, j, mj = 0 1 1 0 0.6489070E-14 1 0.8294008E-03 2 0.1141876E-03 3 0.1009377E-03 4 0.3840434E-05 5 0.1721345E-05 6 0.1788737E-05 7 0.7876980E-06 8 0.7057420E-07 9 0.7201689E-09 v, j, mj = 0 3 -3 0 0.2367579E-13 1 0.4592911E-06 2 0.8866845E-05 3 0.2794380E-04 4 0.6830453E-05 5 0.1689103E-05 6 0.3955510E-06 7 0.3913915E-07 8 0.2613991E-08 9 0.4723192E-09 v, j, mj = 0 3 -2 0 0.6337872E-12 1 0.8311526E-05 2 0.4626799E-03 3 0.3285087E-03 4 0.2411611E-04 5 0.3486258E-05 6 0.1386438E-06 7 0.7779167E-08 8 0.3574714E-08 9 0.1203353E-08 v, j, mj = 0 3 -1 0 0.3294232E-06 1 0.4412339E-03 2 0.3174107E-02 3 0.9527275E-03 4 0.1181049E-04 5 0.2824661E-05 6 0.2291870E-06 7 0.2318855E-07 8 0.4937622E-08 9 0.2439494E-08 v, j, mj = 0 3 0 0 0.1210681E-11 1 0.9583285E-03 2 0.3741191E-02 3 0.6993299E-03 4 0.1222667E-04 5 0.5185874E-05 6 0.4233909E-06 7 0.6580314E-07 8 0.5955948E-08 9 0.1760901E-08 v, j, mj = 0 3 1 0 0.1722264E-13 1 0.9410033E-02 2 0.1193310E-02 3 0.3202755E-03 4 0.2987844E-04 5 0.1201538E-04 6 0.1075651E-05 7 0.1485763E-06 8 0.1529572E-07 9 0.1584510E-08 v, j, mj = 0 3 2 0 0.1159732E-02 1 0.5888363E-03 2 0.9112875E-03 3 0.1987704E-04 4 0.9412855E-05 5 0.3838751E-05 6 0.1800603E-05 7 0.1217042E-06 8 0.5428816E-08 9 0.1332597E-08 v, j, mj = 0 3 3 0 0.2010398E-13 1 0.8224339E-04 2 0.1010453E-03 3 0.2758791E-04 4 0.3470385E-05 5 0.8407634E-05 6 0.5759730E-05 7 0.7798484E-06 8 0.1864551E-07 9 0.1264699E-08 v, j, mj = 0 5 -5 0 0.2177247E-13 1 0.2835568E-07 2 0.1031741E-06 3 0.1514739E-05 4 0.2324113E-05 5 0.5987400E-06 6 0.4171191E-07 7 0.2682318E-08 8 0.2140062E-08 9 0.1001831E-08 v, j, mj = 0 5 -4 0 0.5905372E-07 1 0.1493549E-07 2 0.3982682E-05 3 0.2655875E-04 4 0.1134301E-04 5 0.1379955E-05 6 0.8112006E-07 7 0.8014180E-08 8 0.7140918E-08 9 0.3701787E-08 v, j, mj = 0 5 -3 0 0.2105764E-13 1 0.8120984E-06 2 0.1044888E-03 3 0.2012775E-03 4 0.3903630E-04 5 0.1122476E-05 6 0.4441295E-07 7 0.1963919E-07 8 0.3473666E-08 9 0.9771010E-09 v, j, mj = 0 5 -2 0 0.5810187E-12 1 0.4249425E-04 2 0.7406353E-03 3 0.6537152E-03 4 0.6065893E-04 5 0.7305083E-06 6 0.4980456E-07 7 0.3934391E-08 8 0.2353930E-08 9 0.2625143E-09 v, j, mj = 0 5 -1 0 0.3668733E-06 1 0.3868155E-03 2 0.2491986E-02 3 0.1063394E-02 4 0.7286920E-04 5 0.1275319E-05 6 0.6518789E-07 7 0.2090964E-07 8 0.3619690E-08 9 0.2167387E-08 v, j, mj = 0 5 0 0 0.6326864E-11 1 0.3995211E-03 2 0.1942842E-02 3 0.1009209E-02 4 0.9815407E-04 5 0.1915617E-05 6 0.1561993E-06 7 0.6596261E-08 8 0.1898960E-08 9 0.5606889E-09 v, j, mj = 0 5 1 0 0.4457622E-13 1 0.3279432E-01 2 0.3208827E-02 3 0.1487169E-02 4 0.8632216E-04 5 0.1100027E-05 6 0.4082958E-07 7 0.9284235E-08 8 0.3668390E-08 9 0.3398472E-09 v, j, mj = 0 5 2 0 0.1727526E-01 1 0.2017334E-02 2 0.7998950E-02 3 0.7891450E-03 4 0.3294103E-04 5 0.7474707E-05 6 0.3923560E-06 7 0.7315382E-08 8 0.4202250E-08 9 0.7972332E-09 v, j, mj = 0 5 3 0 0.5531951E-13 1 0.4082435E-02 2 0.2606011E-02 3 0.2194397E-02 4 0.3471342E-03 5 0.2772975E-04 6 0.8240288E-06 7 0.3020311E-07 8 0.3656375E-08 9 0.4997353E-09 v, j, mj = 0 5 4 0 0.3711990E-12 1 0.1708808E-03 2 0.7765228E-03 3 0.1010680E-02 4 0.2262850E-03 5 0.1902343E-04 6 0.7224831E-06 7 0.1080510E-07 8 0.5112598E-08 9 0.1766853E-08 v, j, mj = 0 5 5 0 0.4329088E-07 1 0.5406694E-06 2 0.1105846E-03 3 0.4319990E-03 4 0.2301803E-03 5 0.4881362E-04 6 0.3219605E-05 7 0.4609400E-07 8 0.2412789E-08 9 0.1301186E-08 v, j, mj = 0 7 -7 0 0.8689017E-11 1 0.1037622E-09 2 0.2431606E-08 3 0.1599318E-08 4 0.8725010E-09 5 0.4685596E-09 6 0.5541397E-09 7 0.8113719E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1976600E-14 1 0.1568838E-08 2 0.2607868E-08 3 0.4050464E-08 4 0.2558362E-08 5 0.1105398E-08 6 0.1757120E-08 7 0.1434855E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.8260818E-14 1 0.4726106E-07 2 0.1736954E-07 3 0.7362744E-07 4 0.3603233E-07 5 0.1466000E-07 6 0.4840794E-08 7 0.1454505E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2624760E-06 1 0.2285495E-07 2 0.9037815E-06 3 0.1978961E-05 4 0.2544920E-06 5 0.1879363E-07 6 0.6643600E-08 7 0.9132940E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8726688E-14 1 0.2281582E-06 2 0.2999034E-05 3 0.7232369E-05 4 0.6651104E-06 5 0.6285586E-07 6 0.4781451E-08 7 0.5962235E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7420002E-13 1 0.8784731E-04 2 0.3208785E-03 3 0.9299077E-05 4 0.9649675E-06 5 0.6352146E-07 6 0.2211215E-07 7 0.5821904E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1531398E-06 1 0.1475592E-03 2 0.3559925E-03 3 0.4208053E-05 4 0.3327728E-05 5 0.6503723E-07 6 0.1385658E-07 7 0.3043022E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4541246E-11 1 0.2999492E-01 2 0.3593601E-02 3 0.2208302E-03 4 0.4804287E-04 5 0.4232353E-06 6 0.4047735E-07 7 0.1420528E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5178221E-13 1 0.7338884E-01 2 0.2261816E-02 3 0.1449402E-02 4 0.5387078E-04 5 0.8633501E-06 6 0.2098893E-07 7 0.1493452E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3843263E+00 1 0.1065932E+00 2 0.2551338E-01 3 0.3709395E-02 4 0.1043096E-03 5 0.3127080E-05 6 0.1150974E-06 7 0.5304694E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3945465E-13 1 0.1352434E+00 2 0.2367702E-01 3 0.2333477E-02 4 0.3788234E-03 5 0.9207505E-05 6 0.5715387E-07 7 0.1139652E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2863660E-11 1 0.1220746E-01 2 0.3964303E-01 3 0.6460280E-02 4 0.3180450E-03 5 0.8031213E-05 6 0.9017834E-07 7 0.3901234E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.6688379E-06 1 0.1129236E-02 2 0.8849362E-02 3 0.6893957E-02 4 0.8293966E-03 5 0.2249496E-04 6 0.1991897E-06 7 0.7133093E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.5339223E-12 1 0.3381017E-05 2 0.8563283E-03 3 0.1845231E-02 4 0.5143944E-03 5 0.2321435E-04 6 0.1422300E-06 7 0.2360052E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2521208E-13 1 0.6872050E-06 2 0.3478702E-04 3 0.1776327E-03 4 0.9116555E-04 5 0.6202620E-05 6 0.3303028E-07 7 0.1167269E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3625458E-15 1 0.3117048E-11 2 0.1019746E-10 3 0.4772156E-11 4 0.6571644E-11 5 0.1195197E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.9915806E-18 1 0.1807880E-11 2 0.1346734E-10 3 0.1011361E-10 4 0.5577951E-11 5 0.7388629E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.2313356E-12 1 0.1334122E-10 2 0.1674849E-10 3 0.2350463E-10 4 0.2308102E-10 5 0.2669971E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.2521899E-16 1 0.8277285E-09 2 0.5257319E-09 3 0.1922823E-09 4 0.5742154E-10 5 0.6111535E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.3341819E-16 1 0.3136802E-09 2 0.1477551E-08 3 0.4257428E-09 4 0.1942771E-09 5 0.3959377E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.2799818E-07 1 0.2814810E-07 2 0.2538956E-07 3 0.6398591E-09 4 0.9418935E-09 5 0.4062450E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.9099564E-16 1 0.1309827E-07 2 0.9448284E-08 3 0.1962722E-08 4 0.2819319E-08 5 0.5663979E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1708702E-17 1 0.3226521E-06 2 0.1082873E-06 3 0.1515772E-07 4 0.9034163E-08 5 0.1434094E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9568120E-08 1 0.7362913E-07 2 0.1633661E-06 3 0.5111239E-07 4 0.1421378E-07 5 0.7059664E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1069025E-14 1 0.1044962E-04 2 0.3959414E-05 3 0.3150848E-06 4 0.3707127E-07 5 0.1545718E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.7524352E-16 1 0.1615720E-04 2 0.1027695E-04 3 0.2834594E-06 4 0.2512978E-07 5 0.2890853E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3288414E-03 1 0.2820979E-03 2 0.2066323E-04 3 0.4309553E-06 4 0.3130503E-07 5 0.2660005E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2209540E-16 1 0.1604353E-03 2 0.2010330E-04 3 0.1788628E-06 4 0.1968308E-06 5 0.1487719E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1374860E-14 1 0.4019910E-05 2 0.5069514E-05 3 0.5883184E-06 4 0.3323195E-07 5 0.1992502E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1476598E-07 1 0.3575416E-07 2 0.6667089E-06 3 0.3184564E-06 4 0.7434630E-07 5 0.4825874E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.8482203E-16 1 0.1032742E-05 2 0.4239439E-06 3 0.6107180E-07 4 0.2899127E-07 5 0.1669299E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.4368375E-16 1 0.7117021E-07 2 0.1247424E-07 3 0.1138933E-07 4 0.5500639E-08 5 0.3627899E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2515611E-08 1 0.6677581E-08 2 0.3460483E-07 3 0.6312552E-08 4 0.1743606E-08 5 0.8386072E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1833472E-17 1 0.2376407E-08 2 0.3857137E-08 3 0.1323605E-07 4 0.3752695E-08 5 0.8524176E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1207768E-07 1 0.1540475E-05 2 0.6596033E-05 3 0.3039926E-05 4 0.1000780E-06 5 0.3740642E-08 6 0.9155243E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3976100E-13 1 0.1493536E-04 2 0.3463744E-04 3 0.5295126E-05 4 0.2364619E-06 5 0.8525817E-08 6 0.8180901E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3075789E-15 1 0.1782592E-03 2 0.1556332E-03 3 0.2286230E-04 4 0.1107255E-05 5 0.9307666E-08 6 0.3833568E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1638762E-15 1 0.1937632E-08 2 0.1531967E-08 3 0.3683119E-08 4 0.6010996E-08 5 0.2336447E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1170271E-15 1 0.2784033E-08 2 0.6172009E-07 3 0.1431172E-07 4 0.2018422E-07 5 0.8556687E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.7806437E-10 1 0.9932552E-07 2 0.1577334E-06 3 0.7540982E-07 4 0.8992641E-08 5 0.1469514E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.6795578E-14 1 0.2387372E-05 2 0.6581238E-05 3 0.9331643E-06 4 0.2606561E-07 5 0.5134440E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2604596E-15 1 0.5907732E-04 2 0.1585690E-04 3 0.2025040E-05 4 0.1281437E-06 5 0.5168197E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.7597704E-04 1 0.1710003E-03 2 0.2623389E-04 3 0.3385076E-06 4 0.1155557E-07 5 0.4727478E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.4715144E-16 1 0.1088378E-03 2 0.9191572E-04 3 0.8688490E-05 4 0.1159720E-06 5 0.3383784E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.2254593E-17 1 0.8264828E-10 2 0.4729407E-10 3 0.1062185E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.7417302E-10 1 0.2250589E-09 2 0.3799249E-09 3 0.4163632E-12 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 0.1047666E-16 1 0.2168574E-10 2 0.1588775E-09 3 0.2298846E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3605666E-18 1 0.5828957E-08 2 0.4072032E-09 3 0.6657209E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.2814918E-09 1 0.1487213E-08 2 0.4588253E-08 3 0.3333513E-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 5 0 0 0.2678756E-17 1 0.1373988E-07 2 0.8293361E-08 3 0.4828779E-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 5 1 0 0.9850953E-19 1 0.1042981E-06 2 0.3910595E-07 3 0.8342094E-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 5 2 0 0.1685541E-06 1 0.3839137E-06 2 0.4142507E-07 3 0.7856095E-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 5 3 0 0.9442602E-18 1 0.2681005E-07 2 0.3506140E-07 3 0.5477632E-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 5 4 0 0.9620846E-17 1 0.4447456E-08 2 0.1344584E-07 3 0.5900346E-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 5 5 0 0.1939604E-09 1 0.5018677E-09 2 0.8357133E-08 3 0.8891672E-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 sum of the probabilities = 0.9972398 average vibrational energy (ev) = 0.000509 average rotational energy (ev) = 0.362664 average diffraction energy (ev) = 0.009913 the reaction probability = 0.2760198D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40614530D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9960448E+00 0.1417302E-01 0.3500375E+00 1 0.4618224E-02 0.2417890E-01 0.7697392E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2061965E-02 0 26 1 0 0.1432541E-01 0 31 1 1 0.1623509E-02 0 13 3 -3 0.6118757E-04 0 17 3 -2 0.1528027E-02 0 22 3 -1 0.8532186E-02 0 27 3 0 0.8186502E-02 0 32 3 1 0.1655648E-01 0 36 3 2 0.4114351E-02 0 40 3 3 0.5250853E-03 0 7 5 -5 0.2775171E-04 0 10 5 -4 0.2067708E-03 0 14 5 -3 0.1303354E-02 0 18 5 -2 0.4882964E-02 0 23 5 -1 0.1024253E-01 0 28 5 0 0.7142675E-02 0 33 5 1 0.4661504E-01 0 37 5 2 0.3355136E-01 0 41 5 3 0.1362818E-01 0 44 5 4 0.2330382E-02 0 47 5 5 0.9661795E-03 0 3 7 -7 0.3568434E-07 0 5 7 -6 0.4704556E-07 0 8 7 -5 0.1745364E-05 0 11 7 -4 0.2390759E-04 0 15 7 -3 0.7417828E-04 0 19 7 -2 0.1107574E-02 0 24 7 -1 0.1359973E-02 0 29 7 0 0.4896814E-01 0 34 7 1 0.9645407E-01 0 38 7 2 0.3541956E+00 0 42 7 3 0.1657121E+00 0 45 7 4 0.8775303E-01 0 48 7 5 0.4160714E-01 0 50 7 6 0.1317013E-01 0 52 7 7 0.3107800E-02 0 1 9 -9 0.1090256E-09 0 2 9 -8 0.2090722E-09 0 4 9 -7 0.3166262E-09 0 6 9 -6 0.3422717E-08 0 9 9 -5 0.3678617E-08 0 12 9 -4 0.1101932E-06 0 16 9 -3 0.1206656E-06 0 20 9 -2 0.1163520E-05 0 25 9 -1 0.5001402E-05 0 30 9 0 0.1049732E-03 0 35 9 1 0.2072674E-03 0 39 9 2 0.2706900E-02 0 43 9 3 0.9712815E-03 0 46 9 4 0.9154390E-04 0 49 9 5 0.6189967E-05 0 51 9 6 0.2082390E-05 0 53 9 7 0.3396531E-06 0 54 9 8 0.2305176E-06 0 55 9 9 0.1834896E-06 1 21 1 -1 0.2936220E-03 1 26 1 0 0.1147704E-03 1 31 1 1 0.2302074E-03 1 13 3 -3 0.1859293E-06 1 17 3 -2 0.3469912E-05 1 22 3 -1 0.1720191E-04 1 27 3 0 0.3894839E-04 1 32 3 1 0.4715334E-03 1 36 3 2 0.2981452E-03 1 40 3 3 0.3124065E-02 1 7 5 -5 0.1710112E-08 1 10 5 -4 0.1477704E-08 1 14 5 -3 0.2066941E-08 1 18 5 -2 0.1023611E-07 1 23 5 -1 0.2638524E-07 1 28 5 0 0.4420199E-06 1 33 5 1 0.5996176E-05 1 37 5 2 0.1091202E-04 1 41 5 3 0.8578312E-05 1 44 5 4 0.6960115E-07 1 47 5 5 0.3435063E-07 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2312763E-06 1 0.1727324E-03 2 0.1454440E-02 3 0.4010370E-03 4 0.2512106E-04 5 0.2434041E-05 6 0.3984860E-05 7 0.1741544E-05 8 0.2370308E-06 9 0.6654293E-08 v, j, mj = 0 1 0 0 0.3137476E-11 1 0.2421769E-02 2 0.9717018E-02 3 0.2078297E-02 4 0.9804535E-04 5 0.7604784E-05 6 0.2233984E-05 7 0.4167558E-06 8 0.2299462E-07 9 0.2531129E-08 v, j, mj = 0 1 1 0 0.6022792E-14 1 0.1069040E-02 2 0.2342519E-03 3 0.2869608E-03 4 0.1544585E-04 5 0.6983231E-05 6 0.6638819E-05 7 0.3661341E-05 8 0.5144983E-06 9 0.1311636E-07 v, j, mj = 0 3 -3 0 0.1097708E-12 1 0.6637689E-06 2 0.1764606E-04 3 0.3060275E-04 4 0.4413436E-05 5 0.5095696E-05 6 0.2208852E-05 7 0.5262245E-06 8 0.2949655E-07 9 0.1290760E-08 v, j, mj = 0 3 -2 0 0.2996939E-11 1 0.1903154E-04 2 0.1036473E-02 3 0.4520442E-03 4 0.9902586E-05 5 0.1011047E-04 6 0.4152990E-06 7 0.4330778E-07 8 0.5728834E-08 9 0.9993628E-09 v, j, mj = 0 3 -1 0 0.8851948E-06 1 0.8726087E-03 2 0.5958234E-02 3 0.1622914E-02 4 0.6779480E-04 5 0.8559496E-05 6 0.9541483E-06 7 0.2119795E-06 8 0.2158350E-07 9 0.2404925E-08 v, j, mj = 0 3 0 0 0.1488357E-11 1 0.7067245E-03 2 0.5532076E-02 3 0.1904464E-02 4 0.2984891E-04 5 0.1191766E-04 6 0.1180046E-05 7 0.2660004E-06 8 0.2371286E-07 9 0.1011387E-08 v, j, mj = 0 3 1 0 0.4501900E-13 1 0.1213776E-01 2 0.3619258E-02 3 0.6876103E-03 4 0.8805335E-04 5 0.1954834E-04 6 0.3554396E-05 7 0.6309761E-06 8 0.6277082E-07 9 0.4277790E-08 v, j, mj = 0 3 2 0 0.1407029E-02 1 0.6635075E-03 2 0.1862930E-02 3 0.1421159E-03 4 0.1509496E-04 5 0.1326423E-04 6 0.8981114E-05 7 0.1388028E-05 8 0.3697905E-07 9 0.2858977E-08 v, j, mj = 0 3 3 0 0.1387909E-13 1 0.2126343E-03 2 0.1500386E-03 3 0.1099669E-03 4 0.9192266E-05 5 0.2173071E-04 6 0.1703100E-04 7 0.4311894E-05 8 0.1775070E-06 9 0.2090439E-08 v, j, mj = 0 5 -5 0 0.6518415E-13 1 0.2165224E-06 2 0.7746005E-06 3 0.1046574E-04 4 0.1310293E-04 5 0.2846375E-05 6 0.3249712E-06 7 0.1643117E-07 8 0.2958806E-08 9 0.1175461E-08 v, j, mj = 0 5 -4 0 0.7184513E-06 1 0.3424185E-06 2 0.1989049E-04 3 0.1421047E-03 4 0.3978295E-04 5 0.3702687E-05 6 0.2139969E-06 7 0.9480794E-08 8 0.4003959E-08 9 0.1588793E-08 v, j, mj = 0 5 -3 0 0.1107325E-12 1 0.4493086E-05 2 0.4649963E-03 3 0.7624525E-03 4 0.7093473E-04 5 0.4042900E-06 6 0.4963514E-07 7 0.1875183E-07 8 0.3424455E-08 9 0.1050964E-08 v, j, mj = 0 5 -2 0 0.3757501E-11 1 0.1483665E-03 2 0.2650681E-02 3 0.1940850E-02 4 0.1421106E-03 5 0.8414538E-06 6 0.1042972E-06 7 0.6646500E-08 8 0.3110218E-08 9 0.5006999E-09 v, j, mj = 0 5 -1 0 0.8071780E-06 1 0.8267330E-03 2 0.5605831E-02 3 0.3649193E-02 4 0.1585179E-03 5 0.1258492E-05 6 0.1728043E-06 7 0.1240708E-07 8 0.4365651E-08 9 0.1160441E-08 v, j, mj = 0 5 0 0 0.1631626E-10 1 0.1231822E-02 2 0.2832466E-02 3 0.2923123E-02 4 0.1525431E-03 5 0.2552081E-05 6 0.1523836E-06 7 0.1378447E-07 8 0.1595393E-08 9 0.8450675E-09 v, j, mj = 0 5 1 0 0.7212975E-13 1 0.3397251E-01 2 0.1026046E-01 3 0.2361898E-02 4 0.1836512E-04 5 0.1581136E-05 6 0.2106321E-06 7 0.1537802E-07 8 0.2795876E-08 9 0.6648329E-09 v, j, mj = 0 5 2 0 0.1780859E-01 1 0.3079481E-02 2 0.1184101E-01 3 0.5166063E-03 4 0.2710970E-03 5 0.3174725E-04 6 0.2720879E-05 7 0.9329198E-07 8 0.4695777E-08 9 0.1575276E-08 v, j, mj = 0 5 3 0 0.1863623E-12 1 0.7753073E-02 2 0.1940566E-02 3 0.3443161E-02 4 0.4401126E-03 5 0.4817357E-04 6 0.2993327E-05 7 0.9080607E-07 8 0.8851228E-08 9 0.7073426E-09 v, j, mj = 0 5 4 0 0.5765882E-12 1 0.5055158E-03 2 0.5279272E-03 3 0.9707666E-03 4 0.2537819E-03 5 0.6525983E-04 6 0.6928991E-05 7 0.1919998E-06 8 0.6793872E-08 9 0.3427169E-08 v, j, mj = 0 5 5 0 0.5641817E-07 1 0.5356836E-05 2 0.2542182E-03 3 0.4663055E-03 4 0.1770593E-03 5 0.5459579E-04 6 0.8240218E-05 7 0.3385111E-06 8 0.7371987E-08 9 0.1303747E-08 v, j, mj = 0 7 -7 0 0.8568851E-11 1 0.3546869E-08 2 0.1414082E-07 3 0.8150124E-08 4 0.4892430E-08 5 0.1170540E-08 6 0.7951954E-09 7 0.1708746E-08 8 0.1271045E-08 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1551332E-13 1 0.9770897E-08 2 0.1047843E-07 3 0.1347280E-07 4 0.7427291E-08 5 0.3102339E-08 6 0.1479545E-08 7 0.1068727E-08 8 0.2455257E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2723670E-13 1 0.2236579E-06 2 0.4577272E-07 3 0.9608576E-06 4 0.4549101E-06 5 0.5057066E-07 6 0.6934916E-08 7 0.2556578E-08 8 0.1034003E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3990088E-06 1 0.2221807E-07 2 0.6012894E-05 3 0.1494642E-04 4 0.2405905E-05 5 0.1094148E-06 6 0.1073600E-07 7 0.8840039E-09 8 0.1125048E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2434215E-13 1 0.1510168E-05 2 0.2166808E-04 3 0.4668494E-04 4 0.4134320E-05 5 0.1701348E-06 6 0.9106050E-08 7 0.1162360E-08 8 0.3689126E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.6825231E-12 1 0.2119134E-03 2 0.8157541E-03 3 0.6887430E-04 4 0.1084555E-04 5 0.1569505E-06 6 0.2375313E-07 7 0.6024857E-08 8 0.2481812E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2846989E-06 1 0.3330176E-03 2 0.9111118E-03 3 0.9431878E-04 4 0.2114323E-04 5 0.7777933E-07 6 0.1584346E-07 7 0.2268047E-08 8 0.7578574E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3113414E-10 1 0.4646949E-01 2 0.1646208E-02 3 0.7933686E-03 4 0.5873475E-04 5 0.2802217E-06 6 0.4388589E-07 7 0.8103857E-08 8 0.9632891E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2741455E-12 1 0.8958993E-01 2 0.4371276E-02 3 0.2465250E-02 4 0.2481721E-04 5 0.2728549E-05 6 0.5681323E-07 7 0.6974224E-08 8 0.1190103E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2817895E+00 1 0.3290027E-01 2 0.3799875E-01 3 0.1218150E-02 4 0.2753255E-03 5 0.1347714E-04 6 0.1336807E-06 7 0.1913079E-07 8 0.5858236E-09 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2788175E-12 1 0.1491629E+00 2 0.8829513E-02 3 0.7009356E-02 4 0.6846801E-03 5 0.2533576E-04 6 0.3641690E-06 7 0.1021114E-07 8 0.1210932E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1928563E-10 1 0.2714703E-01 2 0.5553756E-01 3 0.4490488E-02 4 0.5401440E-03 5 0.3719971E-04 6 0.6005373E-06 7 0.5867643E-08 8 0.5186185E-09 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1918274E-05 1 0.3705986E-02 2 0.2236860E-01 3 0.1361503E-01 4 0.1814336E-02 5 0.9985314E-04 6 0.1398770E-05 7 0.1651134E-07 8 0.4186060E-09 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4269810E-11 1 0.3703538E-04 2 0.3610644E-02 3 0.6731626E-02 4 0.2557025E-02 5 0.2298931E-03 6 0.3876053E-05 7 0.3004106E-07 8 0.1090339E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1974677E-12 1 0.5114919E-05 2 0.2747177E-03 3 0.1538999E-02 4 0.1134358E-02 5 0.1516320E-03 6 0.2958195E-05 7 0.1598055E-07 8 0.4224371E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2825532E-15 1 0.7291887E-11 2 0.4317104E-10 3 0.2458932E-10 4 0.7972844E-11 5 0.2600022E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2575654E-17 1 0.1285262E-10 2 0.5470328E-10 3 0.4702442E-10 4 0.5402767E-10 5 0.4046419E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3291973E-11 1 0.2604933E-10 2 0.4933375E-10 3 0.8748471E-10 4 0.1076334E-09 5 0.4283304E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.2337808E-16 1 0.1480480E-08 2 0.1275007E-08 3 0.4524079E-09 4 0.1612528E-09 5 0.5357015E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.4001622E-15 1 0.8663822E-09 2 0.8521257E-09 3 0.1499937E-08 4 0.3665227E-09 5 0.9364902E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.4529913E-07 1 0.6347278E-08 2 0.4948347E-07 3 0.5768218E-08 4 0.2736319E-08 5 0.5587970E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1101039E-14 1 0.2827148E-07 2 0.5644202E-07 3 0.2710421E-07 4 0.6768694E-08 5 0.2079205E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1516727E-15 1 0.6321215E-07 2 0.9507162E-06 3 0.1141733E-06 4 0.3110912E-07 5 0.4308750E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1183469E-07 1 0.1486990E-05 2 0.3215535E-05 3 0.1989178E-06 4 0.8194629E-07 5 0.6178865E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3651512E-13 1 0.6918043E-04 2 0.3442355E-04 3 0.1138867E-05 4 0.2122016E-06 5 0.1813206E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.4665890E-15 1 0.1397393E-03 2 0.6566780E-04 3 0.1741330E-05 4 0.1070844E-06 5 0.1182045E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1534001E-02 1 0.1087544E-02 2 0.8401356E-04 3 0.1170495E-05 4 0.1511092E-06 5 0.1995941E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2934887E-15 1 0.8863503E-03 2 0.8414028E-04 3 0.6762679E-06 4 0.4809415E-07 5 0.6662763E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.5592871E-13 1 0.5028235E-04 2 0.4006105E-04 3 0.1085496E-05 4 0.9142965E-07 5 0.2356921E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.6605143E-08 1 0.8363289E-06 2 0.4084689E-05 3 0.1197503E-05 4 0.5793839E-07 5 0.6903687E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1208084E-13 1 0.1358685E-06 2 0.1579414E-05 3 0.3130218E-06 4 0.4641483E-07 5 0.7670463E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.4306557E-15 1 0.9110237E-07 2 0.8686987E-07 3 0.1291050E-06 4 0.2480796E-07 5 0.7767910E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.5533415E-07 1 0.5529412E-07 2 0.2986653E-07 3 0.7057675E-07 4 0.1608097E-07 5 0.3365111E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.2555560E-15 1 0.6811936E-07 2 0.3810356E-07 3 0.5883515E-07 4 0.1073897E-07 5 0.7692602E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2751374E-08 1 0.2304712E-04 2 0.1626748E-03 3 0.9704816E-04 4 0.1069384E-04 5 0.1525527E-06 6 0.2731528E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1948236E-12 1 0.4726662E-04 2 0.6593073E-04 3 0.1381535E-05 4 0.1673787E-06 5 0.1986351E-07 6 0.4313181E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3718298E-14 1 0.4000577E-04 2 0.1410955E-03 3 0.4544379E-04 4 0.3500027E-05 5 0.1581425E-06 6 0.4150697E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1251066E-14 1 0.3812884E-07 2 0.9107630E-07 3 0.4110385E-07 4 0.7610290E-08 5 0.7365434E-08 6 0.6445761E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.6440114E-14 1 0.8812030E-07 2 0.2241472E-05 3 0.1096779E-05 4 0.3773351E-07 5 0.5684077E-08 6 0.1223827E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.4589502E-08 1 0.4021461E-06 2 0.7474295E-05 3 0.8504234E-05 4 0.8059380E-06 5 0.9343213E-08 6 0.1364751E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.9412015E-13 1 0.6927185E-05 2 0.2831782E-04 3 0.3595122E-05 4 0.7882901E-07 5 0.2864665E-07 6 0.7898090E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2091315E-14 1 0.3791382E-03 2 0.8697432E-04 3 0.5099138E-05 4 0.3084136E-06 5 0.1228303E-07 6 0.9829500E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.5836142E-04 1 0.1622863E-03 2 0.6374623E-04 3 0.1300257E-04 4 0.7326901E-06 5 0.1550232E-07 6 0.4559768E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3569472E-14 1 0.1104236E-02 2 0.1659987E-02 3 0.3486746E-03 4 0.1111305E-04 5 0.5439685E-07 6 0.3471027E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.7343399E-17 1 0.3193827E-09 2 0.5504693E-09 3 0.8032203E-09 4 0.3704005E-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 5 -4 0 0.6958203E-10 1 0.1687647E-09 2 0.8310285E-09 3 0.3902237E-09 4 0.1810537E-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 5 -3 0 0.2592307E-17 1 0.4650977E-09 2 0.6887822E-09 3 0.7890354E-09 4 0.1240256E-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 5 -2 0 0.7000464E-16 1 0.2101670E-08 2 0.5008091E-08 3 0.2351959E-08 4 0.7743935E-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 5 -1 0 0.9953440E-09 1 0.1829376E-07 2 0.5142679E-08 3 0.1465046E-08 4 0.4884064E-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 5 0 0 0.3908849E-15 1 0.1829064E-06 2 0.2443757E-06 3 0.1320798E-07 4 0.1529866E-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 5 1 0 0.4297033E-16 1 0.4436908E-05 2 0.1518331E-05 3 0.3856204E-07 4 0.2374364E-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 5 2 0 0.3340711E-05 1 0.6428332E-05 2 0.1092270E-05 3 0.4909187E-07 4 0.1612599E-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 5 3 0 0.2576060E-16 1 0.5036261E-05 2 0.3247478E-05 3 0.2906580E-06 4 0.3914355E-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 5 4 0 0.2259961E-16 1 0.9707618E-08 2 0.4812090E-07 3 0.9566228E-08 4 0.2206407E-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 5 5 0 0.9215380E-09 1 0.9811002E-09 2 0.2046890E-07 3 0.1023016E-07 4 0.1748928E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0006631 average vibrational energy (ev) = 0.002351 average rotational energy (ev) = 0.348777 average diffraction energy (ev) = 0.014219 the reaction probability = -0.6630581D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40043101D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9945430E+00 0.2145715E-01 0.3380050E+00 1 0.7673678E-02 0.2273324E-01 0.7881392E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3686075E-02 0 26 1 0 0.2038978E-01 0 31 1 1 0.2941600E-02 0 13 3 -3 0.8016964E-04 0 17 3 -2 0.2251441E-02 0 22 3 -1 0.1310302E-01 0 27 3 0 0.1129105E-01 0 32 3 1 0.1969454E-01 0 36 3 2 0.6450175E-02 0 40 3 3 0.8934443E-03 0 7 5 -5 0.1157437E-03 0 10 5 -4 0.7340512E-03 0 14 5 -3 0.3579073E-02 0 18 5 -2 0.1147089E-01 0 23 5 -1 0.2003754E-01 0 28 5 0 0.1197583E-01 0 33 5 1 0.4912191E-01 0 37 5 2 0.3313729E-01 0 41 5 3 0.2029414E-01 0 44 5 4 0.2835841E-02 0 47 5 5 0.1411981E-02 0 3 7 -7 0.2912602E-06 0 5 7 -6 0.6975233E-06 0 8 7 -5 0.1577364E-04 0 11 7 -4 0.1402887E-03 0 15 7 -3 0.3477632E-03 0 19 7 -2 0.2596935E-02 0 24 7 -1 0.3208002E-02 0 29 7 0 0.6179681E-01 0 34 7 1 0.1030918E+00 0 38 7 2 0.2239799E+00 0 42 7 3 0.1365102E+00 0 45 7 4 0.9972331E-01 0 48 7 5 0.7063433E-01 0 50 7 6 0.3099614E-01 0 52 7 7 0.1391316E-01 0 1 9 -9 0.3518458E-09 0 2 9 -8 0.5963381E-09 0 4 9 -7 0.9779294E-09 0 6 9 -6 0.5433696E-08 0 9 9 -5 0.1025232E-07 0 12 9 -4 0.9999359E-07 0 16 9 -3 0.6659217E-06 0 20 9 -2 0.6906990E-05 0 25 9 -1 0.3942353E-04 0 30 9 0 0.5519464E-03 0 35 9 1 0.8140108E-03 0 39 9 2 0.6819964E-02 0 43 9 3 0.3331455E-02 0 46 9 4 0.4597011E-03 0 49 9 5 0.5320812E-04 0 51 9 6 0.1171756E-04 0 53 9 7 0.1536746E-05 0 54 9 8 0.8559324E-06 0 55 9 9 0.5695098E-06 1 21 1 -1 0.4627813E-03 1 26 1 0 0.6948739E-03 1 31 1 1 0.1889809E-03 1 13 3 -3 0.8005565E-05 1 17 3 -2 0.5551755E-04 1 22 3 -1 0.1829002E-03 1 27 3 0 0.4152039E-03 1 32 3 1 0.9367592E-03 1 36 3 2 0.2419691E-02 1 40 3 3 0.1991948E-02 1 7 5 -5 0.2553042E-08 1 10 5 -4 0.1049834E-07 1 14 5 -3 0.1385469E-07 1 18 5 -2 0.2800986E-06 1 23 5 -1 0.1815053E-05 1 28 5 0 0.1099132E-04 1 33 5 1 0.7421121E-04 1 37 5 2 0.1495641E-03 1 41 5 3 0.6194187E-04 1 44 5 4 0.1648209E-04 1 47 5 5 0.1703391E-05 1 3 7 -7 0.7671417E-13 1 5 7 -6 0.1392929E-17 1 8 7 -5 0.1160784E-18 1 11 7 -4 0.1178009E-11 1 15 7 -3 0.1081656E-18 1 19 7 -2 0.6392168E-18 1 24 7 -1 0.1740592E-11 1 29 7 0 0.1124542E-17 1 34 7 1 0.1124270E-18 1 38 7 2 0.8795326E-09 1 42 7 3 0.5221488E-19 1 45 7 4 0.1166934E-17 1 48 7 5 0.2728199E-10 1 50 7 6 0.3342326E-17 1 52 7 7 0.5521320E-18 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.4118885E-06 1 0.2306204E-03 2 0.2369420E-02 3 0.9242452E-03 4 0.1115473E-03 5 0.2073125E-04 6 0.1688048E-04 7 0.1004452E-04 8 0.2101466E-05 9 0.7287796E-07 v, j, mj = 0 1 0 0 0.2162199E-11 1 0.2270943E-02 2 0.1161864E-01 3 0.5800919E-02 4 0.6396493E-03 5 0.4749174E-04 6 0.9291461E-05 7 0.2598320E-05 8 0.2466567E-06 9 0.6760207E-08 v, j, mj = 0 1 1 0 0.5562692E-12 1 0.1297502E-02 2 0.7894073E-03 3 0.6498719E-03 4 0.1264600E-03 5 0.3458924E-04 6 0.2620546E-04 7 0.1443905E-04 8 0.3006631E-05 9 0.1182932E-06 v, j, mj = 0 3 -3 0 0.2153919E-12 1 0.4460504E-06 2 0.2799451E-04 3 0.1845025E-04 4 0.1211606E-04 5 0.1302751E-04 6 0.5532218E-05 7 0.2329256E-05 8 0.2671339E-06 9 0.6637638E-08 v, j, mj = 0 3 -2 0 0.1041395E-10 1 0.8837621E-04 2 0.1407504E-02 3 0.6106499E-03 4 0.1228119E-03 5 0.1834932E-04 6 0.3219428E-05 7 0.4924836E-06 8 0.3610024E-07 9 0.1514504E-08 v, j, mj = 0 3 -1 0 0.1200189E-05 1 0.1015036E-02 2 0.8014025E-02 3 0.3584962E-02 4 0.4607123E-03 5 0.2092836E-04 6 0.4706340E-05 7 0.1242564E-05 8 0.2029319E-06 9 0.8107637E-08 v, j, mj = 0 3 0 0 0.4084483E-11 1 0.1283238E-03 2 0.6158400E-02 3 0.4578623E-02 4 0.3986002E-03 5 0.1976628E-04 6 0.6012929E-05 7 0.1178772E-05 8 0.1349409E-06 9 0.6420227E-08 v, j, mj = 0 3 1 0 0.6528354E-12 1 0.9498174E-02 2 0.7648313E-02 3 0.1826278E-02 4 0.6342848E-03 5 0.6882119E-04 6 0.1542019E-04 7 0.2964785E-05 8 0.2761070E-06 9 0.6980643E-08 v, j, mj = 0 3 2 0 0.1947192E-02 1 0.9294469E-03 2 0.2665629E-02 3 0.6722176E-03 4 0.1242769E-03 5 0.6711439E-04 6 0.3527181E-04 7 0.8506938E-05 8 0.5140022E-06 9 0.5908401E-08 v, j, mj = 0 3 3 0 0.3825054E-12 1 0.1175023E-03 2 0.2926475E-03 3 0.2822961E-03 4 0.4619336E-04 5 0.7372503E-04 6 0.5940630E-04 7 0.1992716E-04 8 0.1732810E-05 9 0.1378789E-07 v, j, mj = 0 5 -5 0 0.9585907E-13 1 0.7847589E-06 2 0.3263354E-05 3 0.4901760E-04 4 0.4853789E-04 5 0.1030446E-04 6 0.3313154E-05 7 0.5075268E-06 8 0.1321737E-07 9 0.1766460E-08 v, j, mj = 0 5 -4 0 0.1420270E-05 1 0.1982149E-05 2 0.7424444E-04 3 0.5443889E-03 4 0.1026851E-03 5 0.8001925E-05 6 0.1220176E-05 7 0.1013307E-06 8 0.4502832E-08 9 0.2377489E-08 v, j, mj = 0 5 -3 0 0.2347907E-12 1 0.1659176E-04 2 0.1380582E-02 3 0.2097199E-02 4 0.8020943E-04 5 0.4109275E-05 6 0.3272844E-06 7 0.4729429E-07 8 0.6401717E-08 9 0.9825838E-09 v, j, mj = 0 5 -2 0 0.1383266E-10 1 0.2934697E-03 2 0.6349007E-02 3 0.4441950E-02 4 0.3766057E-03 5 0.9540949E-05 6 0.2854070E-06 7 0.2711858E-07 8 0.2079574E-08 9 0.5898180E-09 v, j, mj = 0 5 -1 0 0.1805752E-05 1 0.1315436E-02 2 0.8760566E-02 3 0.9531111E-02 4 0.4227840E-03 5 0.5458721E-05 6 0.3237173E-06 7 0.5207805E-07 8 0.4319776E-08 9 0.1143128E-08 v, j, mj = 0 5 0 0 0.4304141E-10 1 0.2262072E-02 2 0.2640567E-02 3 0.6923129E-02 4 0.1349976E-03 5 0.1473067E-04 6 0.2350419E-06 7 0.8959709E-07 8 0.4765093E-08 9 0.1280304E-08 v, j, mj = 0 5 1 0 0.4236620E-13 1 0.2107016E-01 2 0.2504776E-01 3 0.2598350E-02 4 0.3862969E-03 5 0.1703096E-04 6 0.2234454E-05 7 0.7532584E-07 8 0.3737194E-08 9 0.7995859E-09 v, j, mj = 0 5 2 0 0.9321170E-02 1 0.7512177E-02 2 0.1301882E-01 3 0.2204940E-02 4 0.9402779E-03 5 0.1252569E-03 6 0.1389258E-04 7 0.7429241E-06 8 0.1210728E-07 9 0.1988344E-08 v, j, mj = 0 5 3 0 0.4997617E-12 1 0.1284904E-01 2 0.2025086E-02 3 0.4774439E-02 4 0.4988974E-03 5 0.1269844E-03 6 0.1857919E-04 7 0.1076531E-05 8 0.3719049E-07 9 0.1284217E-08 v, j, mj = 0 5 4 0 0.1710794E-11 1 0.8383496E-03 2 0.3015172E-03 3 0.1143071E-02 4 0.3328161E-03 5 0.1776563E-03 6 0.4000335E-04 7 0.2395617E-05 8 0.2690980E-07 9 0.4228438E-08 v, j, mj = 0 5 5 0 0.3380077E-07 1 0.1781306E-04 2 0.6054686E-03 3 0.3632873E-03 4 0.2092749E-03 5 0.1598092E-03 6 0.5244568E-04 7 0.3796555E-05 8 0.5058183E-07 9 0.1015692E-08 v, j, mj = 0 7 -7 0 0.5444735E-10 1 0.4532423E-07 2 0.4646612E-07 3 0.7460123E-07 4 0.8508024E-07 5 0.3463664E-07 6 0.3017393E-08 7 0.1130603E-08 8 0.9493116E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.7299104E-13 1 0.9485143E-07 2 0.5467149E-07 3 0.1530516E-06 4 0.2902763E-06 5 0.9279052E-07 6 0.7514099E-08 7 0.3439150E-08 8 0.9286799E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.8874205E-13 1 0.7468621E-06 2 0.7993509E-06 3 0.9371140E-05 4 0.4537402E-05 5 0.3002799E-06 6 0.1534776E-07 7 0.2834733E-08 8 0.4263385E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4123692E-06 1 0.6544173E-07 2 0.3466292E-04 3 0.9341483E-04 4 0.1149777E-04 5 0.2141789E-06 6 0.1826853E-07 7 0.2621286E-08 8 0.3511402E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5833543E-13 1 0.7446398E-05 2 0.1165041E-03 3 0.2030662E-03 4 0.2046781E-04 5 0.2657543E-06 6 0.1140380E-07 7 0.8688712E-09 8 0.6014640E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2934567E-11 1 0.4304210E-03 2 0.1580085E-02 3 0.5338559E-03 4 0.5239276E-04 5 0.1390624E-06 6 0.3024852E-07 7 0.9313692E-08 8 0.2365571E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4974130E-06 1 0.6385094E-03 2 0.1691621E-02 3 0.8212005E-03 4 0.5605966E-04 5 0.9370503E-07 6 0.1323449E-07 7 0.4960852E-08 8 0.1528320E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1222592E-09 1 0.5709348E-01 2 0.2926827E-02 3 0.1741241E-02 4 0.3356905E-04 5 0.1640826E-05 6 0.4527586E-07 7 0.1100896E-07 8 0.9740365E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8257177E-12 1 0.7743853E-01 2 0.2414840E-01 3 0.1338245E-02 4 0.1548202E-03 5 0.1153551E-04 6 0.2414268E-06 7 0.9670467E-08 8 0.2106014E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1461356E+00 1 0.2945570E-01 2 0.4439148E-01 3 0.3202868E-02 4 0.7575063E-03 5 0.3559429E-04 6 0.1198826E-05 7 0.6167316E-08 8 0.2354925E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1141097E-11 1 0.1114148E+00 2 0.9751867E-02 3 0.1458204E-01 4 0.6893069E-03 5 0.7032625E-04 6 0.1812086E-05 7 0.3347986E-07 8 0.2255696E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.8017221E-10 1 0.4677612E-01 2 0.4960825E-01 3 0.1652580E-02 4 0.1542087E-02 5 0.1395685E-03 6 0.4661038E-05 7 0.4498542E-07 8 0.1591316E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8284746E-05 1 0.1013802E-01 2 0.4342986E-01 3 0.1514137E-01 4 0.1657152E-02 5 0.2518932E-03 6 0.7645089E-05 7 0.9691306E-07 8 0.1408839E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2675493E-10 1 0.1587198E-03 2 0.1189014E-01 3 0.1370275E-01 4 0.4466443E-02 5 0.7467053E-03 6 0.3106562E-04 7 0.3147618E-06 8 0.6349108E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1410960E-11 1 0.3378014E-04 2 0.1575867E-02 3 0.6251455E-02 4 0.4885424E-02 5 0.1111525E-02 6 0.5460981E-04 7 0.5003418E-06 8 0.4423510E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3978201E-15 1 0.1374871E-10 2 0.3917749E-10 3 0.1060637E-09 4 0.1151922E-09 5 0.6069860E-10 6 0.1696481E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.3870158E-16 1 0.1491257E-09 2 0.6095228E-10 3 0.1769549E-09 4 0.1118861E-09 5 0.6819236E-10 6 0.2922675E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1209158E-10 1 0.9470884E-11 2 0.1907007E-09 3 0.1861212E-09 4 0.4585578E-09 5 0.9591547E-10 6 0.2507178E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1426252E-14 1 0.1352410E-08 2 0.1879063E-08 3 0.1467779E-08 4 0.5191267E-09 5 0.1605067E-09 6 0.5480848E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.3020810E-14 1 0.9724894E-09 2 0.1385632E-08 3 0.5651214E-08 4 0.1631444E-08 5 0.5102719E-09 6 0.1012661E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1456460E-07 1 0.1032006E-07 2 0.4409222E-07 3 0.2034698E-07 4 0.5828162E-08 5 0.4579184E-08 6 0.2623972E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3486782E-14 1 0.5141637E-07 2 0.4297612E-06 3 0.1588486E-06 4 0.9808091E-08 5 0.1536451E-07 6 0.7229691E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3594447E-14 1 0.3125836E-06 2 0.5822454E-05 3 0.7400901E-06 4 0.2669387E-07 5 0.3873297E-08 6 0.1295674E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2908214E-07 1 0.1242261E-04 2 0.2581243E-04 3 0.1083937E-05 4 0.2779016E-07 5 0.4413029E-07 6 0.3553648E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3950632E-12 1 0.3825815E-03 2 0.1668928E-03 3 0.2293107E-05 4 0.1467096E-06 5 0.2667804E-07 6 0.5597945E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2118892E-14 1 0.6106657E-03 2 0.1968631E-03 3 0.6386708E-05 4 0.6876562E-07 5 0.2350490E-07 6 0.3009814E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.4517072E-02 1 0.2118850E-02 2 0.1814937E-03 3 0.2100114E-05 4 0.4091535E-06 5 0.3563525E-07 6 0.3216224E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1538844E-14 1 0.3128061E-02 2 0.1984541E-03 3 0.4453608E-05 4 0.3380186E-06 5 0.1357196E-06 6 0.1277074E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.6407694E-12 1 0.2536296E-03 2 0.1997897E-03 3 0.6127979E-05 4 0.1148294E-06 5 0.3611493E-07 6 0.2878449E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1095180E-07 1 0.8737460E-05 2 0.3850254E-04 3 0.5869692E-05 4 0.6264154E-07 5 0.2053030E-07 6 0.4308325E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1886047E-12 1 0.8157587E-06 2 0.7776034E-05 3 0.2867921E-05 4 0.2191127E-06 5 0.3237025E-07 6 0.6361035E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.5105092E-14 1 0.4502905E-06 2 0.4793113E-06 3 0.5092306E-06 4 0.8925310E-07 5 0.6476728E-08 6 0.2183494E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1894072E-06 1 0.6491883E-07 2 0.3538739E-06 3 0.1861891E-06 4 0.4672661E-07 5 0.1208801E-07 6 0.2728735E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.6800418E-15 1 0.2406879E-06 2 0.1955398E-06 3 0.9465941E-07 4 0.1932191E-07 5 0.1465432E-07 6 0.4646451E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.6502465E-07 1 0.7625421E-04 2 0.2365890E-03 3 0.9418108E-04 4 0.5166995E-04 5 0.3995523E-05 6 0.2471013E-07 7 0.1773370E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3187505E-12 1 0.1978058E-03 2 0.4368141E-03 3 0.5520389E-04 4 0.4903014E-05 5 0.1388672E-06 6 0.5489228E-08 7 0.2759721E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1241248E-13 1 0.9742484E-04 2 0.5165460E-04 3 0.3785568E-04 4 0.1393436E-05 5 0.6316763E-06 6 0.1960383E-07 7 0.1084038E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1150959E-13 1 0.7308960E-07 2 0.2351730E-05 3 0.4892253E-05 4 0.6712615E-06 5 0.1233808E-07 6 0.4893053E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3342009E-14 1 0.1895945E-05 2 0.3730001E-04 3 0.1584772E-04 4 0.4476244E-06 5 0.2237965E-07 6 0.3868695E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1320082E-07 1 0.1286235E-04 2 0.1109530E-03 3 0.5020410E-04 4 0.8579398E-05 5 0.2842166E-06 6 0.3910373E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3347515E-12 1 0.5258901E-04 2 0.2863062E-03 3 0.7260923E-04 4 0.3626780E-05 5 0.6462529E-07 6 0.7969033E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1217089E-13 1 0.8671769E-03 2 0.3689633E-04 3 0.3127111E-04 4 0.1340105E-05 5 0.6413306E-07 6 0.1060780E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2685366E-03 1 0.1060658E-02 2 0.9357525E-03 3 0.1497313E-03 4 0.4943850E-05 5 0.6461138E-07 6 0.4283708E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.2280322E-13 1 0.9252145E-03 2 0.7192694E-03 3 0.3040108E-03 4 0.4267194E-04 5 0.7772326E-06 6 0.4040028E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1095812E-14 1 0.5970053E-09 2 0.6073522E-09 3 0.8991785E-09 4 0.3929230E-09 5 0.5658171E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2482342E-08 1 0.1641899E-08 2 0.3307700E-08 3 0.2730628E-08 4 0.2976579E-09 5 0.3811460E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.5341209E-15 1 0.7504941E-08 2 0.2043775E-08 3 0.1905643E-08 4 0.2154074E-08 5 0.2462558E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.6539133E-15 1 0.1989322E-07 2 0.1539195E-06 3 0.1015998E-06 4 0.4516253E-08 5 0.1697748E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.1349285E-09 1 0.2099007E-06 2 0.1140168E-05 3 0.4472147E-06 4 0.1711957E-07 5 0.5152249E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.6688557E-14 1 0.2814476E-05 2 0.7116447E-05 3 0.1032872E-05 4 0.2698830E-07 5 0.5352966E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.4038443E-15 1 0.6450614E-04 2 0.9217944E-05 3 0.4572660E-06 4 0.2488328E-07 5 0.4980257E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.3131151E-04 1 0.8083253E-04 2 0.3504723E-04 3 0.2336561E-05 4 0.3551954E-07 5 0.7675476E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1304570E-15 1 0.4488145E-04 2 0.1640795E-04 3 0.6385419E-06 4 0.1356931E-07 5 0.3575929E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3363446E-13 1 0.5581802E-05 2 0.9540301E-05 3 0.1342727E-05 4 0.1643841E-07 5 0.8176396E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.5137501E-08 1 0.1627194E-06 2 0.1171501E-05 3 0.3575453E-06 4 0.6147137E-08 5 0.3405128E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.7671417E-13 1 0.0000000E+00 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 7 -6 0 0.1392929E-17 1 0.0000000E+00 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 7 -5 0 0.1160784E-18 1 0.0000000E+00 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 7 -4 0 0.1178009E-11 1 0.0000000E+00 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 7 -3 0 0.1081656E-18 1 0.0000000E+00 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 7 -2 0 0.6392168E-18 1 0.0000000E+00 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 7 -1 0 0.1740592E-11 1 0.0000000E+00 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 7 0 0 0.1124542E-17 1 0.0000000E+00 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 7 1 0 0.1124270E-18 1 0.0000000E+00 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 7 2 0 0.8795326E-09 1 0.0000000E+00 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 7 3 0 0.5221488E-19 1 0.0000000E+00 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 7 4 0 0.1166934E-17 1 0.0000000E+00 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 7 5 0 0.2728199E-10 1 0.0000000E+00 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 7 6 0 0.3342326E-17 1 0.0000000E+00 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 7 7 0 0.5521320E-18 1 0.0000000E+00 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 = 1.0022167 average vibrational energy (ev) = 0.003901 average rotational energy (ev) = 0.336020 average diffraction energy (ev) = 0.021467 the reaction probability = -0.2216719D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 91905.8818 (a) ... Propagating the wavefunction 89979.8820 (b) Setup time 1724.6698 Saving the wave function for rerun 43.0821 Calculating averages 4.3366 Calculating and saving BK-coeffs 16.0416 Asymptotic analysis 3.2143 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 91771.2263 (a) ... FFTs along X and Y 5466.9876 Kinetic energy operation along Z 25319.3991 Kinetic energy operation along r 17869.7325 Potential energy multiplication 11158.5229 Legengre transforms 24686.8874 Shifting the wavefunction 1822.2297 Kinetic energy multiplications (xy) 404.5281 Absorbing the wavefunction 475.3681 Projection formalism 15.9492 Operations on specular grid 0.1517 ----------------------------------------------------- Sum 87219.7563 (b) ... Potential initialisation time 0.0000 Potential setup time 1701.0239 FFTs along X 2763.0232 FFTs along Y 2703.9645 Time spent on FGH for asympwf 0.3993 Ending date and time: Sat Aug 10 09:32:05 CEST 2019