Starting date and time: Sat Aug 10 07:54:15 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 20190810 at 075415.201 *** * 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: v0j7mj5-0.15eV-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: 5 * 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: 5 * 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 = 5 ... *** 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 = 0.39100647E-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 = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 145 iz = 149 iz = 153 iz = 143 iz = 157 iz = 161 iz = 146 iz = 150 iz = 154 iz = 158 iz = 147 iz = 162 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.17239784E+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 = 232 ******************************************************************************** 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 = 12738 ******************************************************************************** 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 1.51910120 0.16830006E-01 0.14500000E+04 0.99999959 13.73855617 1.51910399 0.11939071E-01 0.15000000E+04 0.99999957 13.61215571 1.51911580 0.84968626E-02 0.15500000E+04 0.99999956 13.48573119 1.51912390 0.60728900E-02 0.16000000E+04 0.99999954 13.35928026 1.51912407 0.43625363E-02 0.16500000E+04 0.99999953 13.23280019 1.51912900 0.31518925E-02 0.17000000E+04 0.99999952 13.10628790 1.51913493 0.22914451E-02 0.17500000E+04 0.99999950 12.97973992 1.51914243 0.16769328E-02 0.18000000E+04 0.99999949 12.85315239 1.51915744 0.12356812E-02 0.18500000E+04 0.99999947 12.72652107 1.51918333 0.91698041E-03 0.19000000E+04 0.99999946 12.59984138 1.51920941 0.68536701E-03 0.19500000E+04 0.99999944 12.47310845 1.51922792 0.51596026E-03 0.20000000E+04 0.99999943 12.34631713 1.51925074 0.39123493E-03 0.20500000E+04 0.99999942 12.21946209 1.51927893 0.29879163E-03 0.21000000E+04 0.99999940 12.09253779 1.51930754 0.22981297E-03 0.21500000E+04 0.99999939 11.96553859 1.51934424 0.17799613E-03 0.22000000E+04 0.99999937 11.83845871 1.51939036 0.13881056E-03 0.22500000E+04 0.99999936 11.71129230 1.51943804 0.10898068E-03 0.23000000E+04 0.99999935 11.58403342 1.51947730 0.86124884E-04 0.23500000E+04 0.99999933 11.45667607 1.51951704 0.68500158E-04 0.24000000E+04 0.99999932 11.32921418 1.51956393 0.54823674E-04 0.24500000E+04 0.99999930 11.20164164 1.51960983 0.44145447E-04 0.25000000E+04 0.99999929 11.07395229 1.51966143 0.35757778E-04 0.25500000E+04 0.99999927 10.94613994 1.51972118 0.29130369E-04 0.26000000E+04 0.99999926 10.81819845 1.51978243 0.23863570E-04 0.26500000E+04 0.99999925 10.69012169 1.51983491 0.19654238E-04 0.27000000E+04 0.99999923 10.56190370 1.51988496 0.16272062E-04 0.27500000E+04 0.99999922 10.43353868 1.51994264 0.13539890E-04 0.28000000E+04 0.99999920 10.30502116 1.52000111 0.11321447E-04 0.28500000E+04 0.99999919 10.17634609 1.52006230 0.95111692E-05 0.29000000E+04 0.99999917 10.04750902 1.52013303 0.80268420E-05 0.29500000E+04 0.99999916 9.91850623 1.52020524 0.68038899E-05 0.30000000E+04 0.99999915 9.78933500 1.52027147 0.57921332E-05 0.30500000E+04 0.99999913 9.65999382 1.52033392 0.49512930E-05 0.31000000E+04 0.99999912 9.53048265 1.52040592 0.42495317E-05 0.31500000E+04 0.99999910 9.40080325 1.52048409 0.36614255E-05 0.32000000E+04 0.99999909 9.27095951 1.52056558 0.31665968E-05 0.32500000E+04 0.99999907 9.14095782 1.52066085 0.27486458E-05 0.33000000E+04 0.99999906 9.01080749 1.52076424 0.23943022E-05 0.33500000E+04 0.99999905 8.88052114 1.52086919 0.20927656E-05 0.34000000E+04 0.99999903 8.75011521 1.52097873 0.18352128E-05 0.34500000E+04 0.99999902 8.61961040 1.52110776 0.16144330E-05 0.35000000E+04 0.99999900 8.48903221 1.52125990 0.14245361E-05 0.35500000E+04 0.99999899 8.35841140 1.52143221 0.12604595E-05 0.36000000E+04 0.99999897 8.22778455 1.52163670 0.11186835E-05 0.36500000E+04 0.99999896 8.09719451 1.52187753 0.99560737E-06 0.37000000E+04 0.99999894 7.96669097 1.52214949 0.88841396E-06 0.37500000E+04 0.99999893 7.83633087 1.52246195 0.79475529E-06 0.38000000E+04 0.99999891 7.70617888 1.52283243 0.71269313E-06 0.38500000E+04 0.99999889 7.57630778 1.52327614 0.64062361E-06 0.39000000E+04 0.99999887 7.44679883 1.52379409 0.57719720E-06 0.39500000E+04 0.99999884 7.31774200 1.52440134 0.52105404E-06 0.40000000E+04 0.99999880 7.18923624 1.52511285 0.47161283E-06 0.40500000E+04 0.99999874 7.06138955 1.52592859 0.42780307E-06 0.41000000E+04 0.99999865 6.93431902 1.52686026 0.38887783E-06 0.41500000E+04 0.99999850 6.80815077 1.52792812 0.35418482E-06 0.42000000E+04 0.99999827 6.68301978 1.52914936 0.32316782E-06 0.42500000E+04 0.99999791 6.55906956 1.53052708 0.29537919E-06 0.43000000E+04 0.99999735 6.43645177 1.53206587 0.27047557E-06 0.43500000E+04 0.99999649 6.31532568 1.53377644 0.24798762E-06 0.44000000E+04 0.99999522 6.19585757 1.53565235 0.22804158E-06 0.44500000E+04 0.99999337 6.07821995 1.53768674 0.21014960E-06 0.45000000E+04 0.99999071 5.96259076 1.53988396 0.19401977E-06 0.45500000E+04 0.99998698 5.84915239 1.54224060 0.17939382E-06 0.46000000E+04 0.99998184 5.73809066 1.54474156 0.16607422E-06 0.46500000E+04 0.99997488 5.62959376 1.54736281 0.15391916E-06 0.47000000E+04 0.99996563 5.52385109 1.55008597 0.14281826E-06 0.47500000E+04 0.99995354 5.42105215 1.55288031 0.13267372E-06 0.48000000E+04 0.99993801 5.32138538 1.55570708 0.12339884E-06 0.48500000E+04 0.99991838 5.22503702 1.55853708 0.11492359E-06 0.49000000E+04 0.99989395 5.13218990 1.56134045 0.10719052E-06 0.49500000E+04 0.99986402 5.04302235 1.56407940 0.10014114E-06 0.50000000E+04 0.99982790 4.95770698 1.56671341 0.93504702E-07 0.50500000E+04 0.99978494 4.87640960 1.56920935 0.87616370E-07 0.51000000E+04 0.99973455 4.79928811 1.57153863 0.82193304E-07 0.51500000E+04 0.99967628 4.72649147 1.57366978 0.77176596E-07 0.52000000E+04 0.99960980 4.65815864 1.57558232 0.72528307E-07 0.52500000E+04 0.99953495 4.59441769 1.57726177 0.68224290E-07 0.53000000E+04 0.99945176 4.53538503 1.57868747 0.64243487E-07 0.53500000E+04 0.99936045 4.48116483 1.57983535 0.60563550E-07 0.54000000E+04 0.99926145 4.43184859 1.58068412 0.57162251E-07 0.54500000E+04 0.99915538 4.38751498 1.58122078 0.54018280E-07 0.55000000E+04 0.99904306 4.34822957 1.58143746 0.51113015E-07 0.55500000E+04 0.99892542 4.31404475 1.58134112 0.48422768E-07 0.56000000E+04 0.99880357 4.28499937 1.58095811 0.45737800E-07 0.56500000E+04 0.99867870 4.26111852 1.58032395 0.43423125E-07 0.57000000E+04 0.99855204 4.24241326 1.57947746 0.41258548E-07 0.57500000E+04 0.99842488 4.22888051 1.57845602 0.39222820E-07 0.58000000E+04 0.99829851 4.22050333 1.57728783 0.37304181E-07 0.58500000E+04 0.99817418 4.21725163 1.57598464 0.35483023E-07 0.59000000E+04 0.99805308 4.21908323 1.57454358 0.33783113E-07 0.59500000E+04 0.99793636 4.22594519 1.57295985 0.32209010E-07 0.60000000E+04 0.99782504 4.23777519 1.57123294 0.30659413E-07 0.60500000E+04 0.99772003 4.25450256 1.56937461 0.29174901E-07 0.61000000E+04 0.99762211 4.27604891 1.56741659 0.27852977E-07 0.61500000E+04 0.99753189 4.30232821 1.56540907 0.26521692E-07 0.62000000E+04 0.99744977 4.33324673 1.56340850 0.25086244E-07 0.62500000E+04 0.99737598 4.36870294 1.56145957 0.24109014E-07 0.63000000E+04 0.99731053 4.40858791 1.55958202 0.22964853E-07 0.63500000E+04 0.99725323 4.45278631 1.55776386 0.21696922E-07 0.64000000E+04 0.99720373 4.50117802 1.55596829 0.21122732E-07 0.64500000E+04 0.99716149 4.55363991 1.55415700 0.20502582E-07 0.65000000E+04 0.99712589 4.61004730 1.55231545 0.19028646E-07 0.65500000E+04 0.99709621 4.67027476 1.55046639 0.18477762E-07 0.66000000E+04 0.99707171 4.73419604 1.54866386 0.19025737E-07 0.66500000E+04 0.99705162 4.80168354 1.54696939 0.17885983E-07 0.67000000E+04 0.99703525 4.87260769 1.54542034 0.16346179E-07 0.67500000E+04 0.99702192 4.94683687 1.54400695 0.18184180E-07 0.68000000E+04 0.99701108 5.02423788 1.54267657 0.20366226E-07 0.68500000E+04 0.99700222 5.10467702 1.54136322 0.18766005E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.69000000E+04 0.99699495 5.18802124 1.54002550 0.19057354E-07 0.69500000E+04 0.99698894 5.27413892 1.53867132 0.26557386E-07 0.70000000E+04 0.99698393 5.36290016 1.53735382 0.33360407E-07 0.70500000E+04 0.99697973 5.45417661 1.53613990 0.34345747E-07 0.71000000E+04 0.99697616 5.54784125 1.53506900 0.40693214E-07 0.71500000E+04 0.99697309 5.64376831 1.53412888 0.59818368E-07 0.72000000E+04 0.99697040 5.74183373 1.53326413 0.80156200E-07 0.72500000E+04 0.99696798 5.84191589 1.53241115 0.93339642E-07 0.73000000E+04 0.99696573 5.94389631 1.53153740 0.11231272E-06 0.73500000E+04 0.99696351 6.04766025 1.53065964 0.14932236E-06 0.74000000E+04 0.99696119 6.15309671 1.52982940 0.19343337E-06 0.74500000E+04 0.99695863 6.26009827 1.52909598 0.22871664E-06 0.75000000E+04 0.99695563 6.36856069 1.52847233 0.26127078E-06 0.75500000E+04 0.99695194 6.47838261 1.52792711 0.30891561E-06 0.76000000E+04 0.99694727 6.58946552 1.52740647 0.37038709E-06 0.76500000E+04 0.99694122 6.70171387 1.52687024 0.42367629E-06 0.77000000E+04 0.99693330 6.81503521 1.52631701 0.45730703E-06 0.77500000E+04 0.99692291 6.92934026 1.52578151 0.48656516E-06 0.78000000E+04 0.99690927 7.04454279 1.52530701 0.52784081E-06 0.78500000E+04 0.99689146 7.16055927 1.52491339 0.57098126E-06 0.79000000E+04 0.99686832 7.27730854 1.52458360 0.60184825E-06 0.79500000E+04 0.99683850 7.39471145 1.52427700 0.65281290E-06 0.80000000E+04 0.99680038 7.51269066 1.52395877 0.80828654E-06 0.80500000E+04 0.99675210 7.63117052 1.52362350 0.11620945E-05 0.81000000E+04 0.99669145 7.75007698 1.52329585 0.18196137E-05 0.81500000E+04 0.99661596 7.86933753 1.52300911 0.29964190E-05 0.82000000E+04 0.99652279 7.98888101 1.52277853 0.51210178E-05 0.82500000E+04 0.99640876 8.10863746 1.52258940 0.88231474E-05 0.83000000E+04 0.99627029 8.22853794 1.52240819 0.14855291E-04 0.83500000E+04 0.99610347 8.34851436 1.52220784 0.24131337E-04 0.84000000E+04 0.99590395 8.46849949 1.52198770 0.37952869E-04 0.84500000E+04 0.99566701 8.58842702 1.52177304 0.58240592E-04 0.85000000E+04 0.99538757 8.70823163 1.52159479 0.87545757E-04 0.85500000E+04 0.99506014 8.82784913 1.52146540 0.12887626E-03 0.86000000E+04 0.99467891 8.94721662 1.52136904 0.18563144E-03 0.86500000E+04 0.99423772 9.06627268 1.52127311 0.26184281E-03 0.87000000E+04 0.99373017 9.18495756 1.52115229 0.36253351E-03 0.87500000E+04 0.99314958 9.30321349 1.52100704 0.49377505E-03 0.88000000E+04 0.99248914 9.42098512 1.52086223 0.66224753E-03 0.88500000E+04 0.99174192 9.53821989 1.52074741 0.87460102E-03 0.89000000E+04 0.99090096 9.65486849 1.52067401 0.11371010E-02 0.89500000E+04 0.98995934 9.77088532 1.52062685 0.14556969E-02 0.90000000E+04 0.98891031 9.88622879 1.52057589 0.18361265E-02 0.90500000E+04 0.98774729 10.00086160 1.52049912 0.22835297E-02 0.91000000E+04 0.98646396 10.11475089 1.52039911 0.28014726E-02 0.91500000E+04 0.98505430 10.22786824 1.52030050 0.33908958E-02 0.92000000E+04 0.98351253 10.34018941 1.52023034 0.40496574E-02 0.92500000E+04 0.98183310 10.45169393 1.52019663 0.47728953E-02 0.93000000E+04 0.98001061 10.56236436 1.52018172 0.55538604E-02 0.93500000E+04 0.97803961 10.67218547 1.52015552 0.63846414E-02 0.94000000E+04 0.97591455 10.78114320 1.52009837 0.72565099E-02 0.94500000E+04 0.97362953 10.88922365 1.52001653 0.81600944E-02 0.95000000E+04 0.97117823 10.99641211 1.51993803 0.90857423E-02 0.95500000E+04 0.96855369 11.10269226 1.51989170 0.10024199E-01 0.96000000E+04 0.96574825 11.20804556 1.51988514 0.10967470E-01 0.96500000E+04 0.96275348 11.31245084 1.51989840 0.11909529E-01 0.97000000E+04 0.95956012 11.41588413 1.51989807 0.12846656E-01 0.97500000E+04 0.95615812 11.51831874 1.51986149 0.13777323E-01 0.98000000E+04 0.95253670 11.61972550 1.51979316 0.14701691E-01 0.98500000E+04 0.94868443 11.72007332 1.51972123 0.15620871E-01 0.99000000E+04 0.94458944 11.81932981 1.51967670 0.16536141E-01 0.99500000E+04 0.94023965 11.91746224 1.51967091 0.17448255E-01 0.10000000E+05 0.93562299 12.01443852 1.51968808 0.18356935E-01 0.10050000E+05 0.93072780 12.11022839 1.51969792 0.19260616E-01 0.10100000E+05 0.92554309 12.20480451 1.51967850 0.20156439E-01 0.10150000E+05 0.92005887 12.29814341 1.51963206 0.21040422E-01 0.10200000E+05 0.91426638 12.39022621 1.51958215 0.21907677E-01 0.10250000E+05 0.90815827 12.48103894 1.51955453 0.22752558E-01 0.10300000E+05 0.90172864 12.57057247 1.51955687 0.23568811E-01 0.10350000E+05 0.89497306 12.65882202 1.51957304 0.24349810E-01 0.10400000E+05 0.88788846 12.74578636 1.51957619 0.25088857E-01 0.10450000E+05 0.88047298 12.83146685 1.51955029 0.25779487E-01 0.10500000E+05 0.87272585 12.91586639 1.51950330 0.26415702E-01 0.10550000E+05 0.86464718 12.99898845 1.51946157 0.26992195E-01 0.10600000E+05 0.85623790 13.08083638 1.51944927 0.27504551E-01 0.10650000E+05 0.84749963 13.16141281 1.51946885 0.27949418E-01 0.10700000E+05 0.83843468 13.24071956 1.51949787 0.28324603E-01 0.10750000E+05 0.82904602 13.31875762 1.51950540 0.28629060E-01 0.10800000E+05 0.81933740 13.39552748 1.51947580 0.28862773E-01 0.10850000E+05 0.80931330 13.47102958 1.51942190 0.29026531E-01 0.10900000E+05 0.79897911 13.54526484 1.51937681 0.29121710E-01 0.10950000E+05 0.78834113 13.61823523 1.51936958 0.29150064E-01 0.11000000E+05 0.77740662 13.68994424 1.51940259 0.29113564E-01 0.11050000E+05 0.76618390 13.76039731 1.51944796 0.29014269E-01 0.11100000E+05 0.75468227 13.82960208 1.51946669 0.28854289E-01 0.11150000E+05 0.74291208 13.89756851 1.51943706 0.28635857E-01 0.11200000E+05 0.73088470 13.96430889 1.51937202 0.28361446E-01 0.11250000E+05 0.71861247 14.02983764 1.51931176 0.28033795E-01 0.11300000E+05 0.70610870 14.09417112 1.51929585 0.27655811E-01 0.11350000E+05 0.69338763 14.15732725 1.51933438 0.27230433E-01 0.11400000E+05 0.68046436 14.21932510 1.51939909 0.26760598E-01 0.11450000E+05 0.66735483 14.28018451 1.51944198 0.26249450E-01 0.11500000E+05 0.65407575 14.33992561 1.51942868 0.25700769E-01 0.11550000E+05 0.64064452 14.39856843 1.51936359 0.25119391E-01 0.11600000E+05 0.62707914 14.45613247 1.51928802 0.24511257E-01 0.11650000E+05 0.61339817 14.51263645 1.51925186 0.23882965E-01 0.11700000E+05 0.59962063 14.56809807 1.51927842 0.23241049E-01 0.11750000E+05 0.58576600 14.62253400 1.51934741 0.22591453E-01 0.11800000E+05 0.57185414 14.67595991 1.51940850 0.21939409E-01 0.11850000E+05 0.55790529 14.72839073 1.51941639 0.21289596E-01 0.11900000E+05 0.54394002 14.77984095 1.51936267 0.20646259E-01 0.11950000E+05 0.52997915 14.83032498 1.51928210 0.20013103E-01 0.12000000E+05 0.51604360 14.87985749 1.51922848 0.19393017E-01 0.12050000E+05 0.50215424 14.92845362 1.51923747 0.18787837E-01 0.12100000E+05 0.48833164 14.97612903 1.51930228 0.18198421E-01 0.12150000E+05 0.47459586 15.02289983 1.51937836 0.17625096E-01 0.12200000E+05 0.46096616 15.06878222 1.51941348 0.17068213E-01 0.12250000E+05 0.44746088 15.11379220 1.51938251 0.16528460E-01 0.12300000E+05 0.43409719 15.15794514 1.51930376 0.16006825E-01 0.12350000E+05 0.42089112 15.20125548 1.51922639 0.15504346E-01 0.12400000E+05 0.40785748 15.24373664 1.51919846 0.15021813E-01 0.12450000E+05 0.39500995 15.28540099 1.51923678 0.14559566E-01 0.12500000E+05 0.38236116 15.32626011 1.51931687 0.14117479E-01 0.12550000E+05 0.36992279 15.36632512 1.51938847 0.13695143E-01 0.12600000E+05 0.35770563 15.40560705 1.51940652 0.13292110E-01 0.12650000E+05 0.34571963 15.44411715 1.51935852 0.12908046E-01 0.12700000E+05 0.33397394 15.48186706 1.51927214 0.12542774E-01 0.12750000E+05 0.32247682 15.51886887 1.51919860 0.12196223E-01 0.12800000E+05 0.31123566 15.55513504 1.51918230 0.11868344E-01 0.12850000E+05 0.30025688 15.59067820 1.51923367 0.11559029E-01 0.12900000E+05 0.28954591 15.62551107 1.51932177 0.11268124E-01 0.12950000E+05 0.27910711 15.65964639 1.51939210 0.10995526E-01 0.13000000E+05 0.26894386 15.69309702 1.51939935 0.10741245E-01 0.13050000E+05 0.25905853 15.72587627 1.51933563 0.10505311E-01 0.13100000E+05 0.24945257 15.75799831 1.51923712 0.10287572E-01 0.13150000E+05 0.24012662 15.78947871 1.51916370 0.10087554E-01 0.13200000E+05 0.23108060 15.82033507 1.51916211 0.99045114E-02 0.13250000E+05 0.22231380 15.85058754 1.51923498 0.97376110E-02 0.13300000E+05 0.21382503 15.88025940 1.51933736 0.95861499E-02 0.13350000E+05 0.20561263 15.90937749 1.51940379 0.94496194E-02 0.13400000E+05 0.19767452 15.93797250 1.51938911 0.93275420E-02 0.13450000E+05 0.19000827 15.96607903 1.51929798 0.92191582E-02 0.13500000E+05 0.18261103 15.99373545 1.51918429 0.91231720E-02 0.13550000E+05 0.17547953 16.02098348 1.51911843 0.90377475E-02 0.13600000E+05 0.16861006 16.04786752 1.51914168 0.89607694E-02 0.13650000E+05 0.16199845 16.07443381 1.51923899 0.88902183E-02 0.13700000E+05 0.15564007 16.10072958 1.51934853 0.88244528E-02 0.13750000E+05 0.14952982 16.12680208 1.51940041 0.87622541E-02 0.13800000E+05 0.14366223 16.15269793 1.51936015 0.87026529E-02 0.13850000E+05 0.13803146 16.17846259 1.51925035 0.86446938E-02 0.13900000E+05 0.13263140 16.20414010 1.51913646 0.85873140E-02 0.13950000E+05 0.12745573 16.22977312 1.51908523 0.85293950E-02 0.14000000E+05 0.12249799 16.25540310 1.51912381 0.84698846E-02 0.14050000E+05 0.11775158 16.28107057 1.51922557 0.84078754E-02 0.14100000E+05 0.11320986 16.30681542 1.51932804 0.83426030E-02 0.14150000E+05 0.10886608 16.33267707 1.51937027 0.82734047E-02 0.14200000E+05 0.10471350 16.35869447 1.51932714 0.81996928E-02 0.14250000E+05 0.10074529 16.38490594 1.51922162 0.81209761E-02 0.14300000E+05 0.09695465 16.41134885 1.51911004 0.80369353E-02 0.14350000E+05 0.09333477 16.43805914 1.51905168 0.79475026E-02 0.14400000E+05 0.08987886 16.46507084 1.51907899 0.78528692E-02 0.14450000E+05 0.08658021 16.49241567 1.51917972 0.77533943E-02 0.14500000E+05 0.08343217 16.52012274 1.51929993 0.76494724E-02 0.14550000E+05 0.08042825 16.54821842 1.51936952 0.75414336E-02 0.14600000E+05 0.07756206 16.57672643 1.51933915 0.74295173E-02 0.14650000E+05 0.07482743 16.60566807 1.51921169 0.73139109E-02 0.14700000E+05 0.07221834 16.63506254 1.51905112 0.71948137E-02 0.14750000E+05 0.06972897 16.66492723 1.51895571 0.70724872E-02 0.14800000E+05 0.06735371 16.69527803 1.51899822 0.69472657E-02 0.14850000E+05 0.06508713 16.72612934 1.51916849 0.68195455E-02 0.14900000E+05 0.06292401 16.75749412 1.51936534 0.66897652E-02 0.14950000E+05 0.06085931 16.78938364 1.51945311 0.65583794E-02 0.15000000E+05 0.05888820 16.82180719 1.51935254 0.64258254E-02 0.15050000E+05 0.05700603 16.85477157 1.51910836 0.62924874E-02 0.15100000E+05 0.05520834 16.88828060 1.51887812 0.61586715E-02 0.15150000E+05 0.05349085 16.92233449 1.51883086 0.60245960E-02 0.15200000E+05 0.05184943 16.95692923 1.51901905 0.58904010E-02 0.15250000E+05 0.05028014 16.99205608 1.51932511 0.57561861E-02 0.15300000E+05 0.04877917 17.02770110 1.51953289 0.56220646E-02 0.15350000E+05 0.04734286 17.06384494 1.51947975 0.54882072E-02 0.15400000E+05 0.04596771 17.10046277 1.51918366 0.53548486E-02 0.15450000E+05 0.04465034 17.13752431 1.51884720 0.52222545E-02 0.15500000E+05 0.04338752 17.17499417 1.51871906 0.50906727E-02 0.15550000E+05 0.04217615 17.21283214 1.51890538 0.49602991E-02 0.15600000E+05 0.04101327 17.25099369 1.51927915 0.48312688E-02 0.15650000E+05 0.03989605 17.28943044 1.51956581 0.47036702E-02 0.15700000E+05 0.03882180 17.32809075 1.51954576 0.45775648E-02 0.15750000E+05 0.03778796 17.36692023 1.51922425 0.44530078E-02 0.15800000E+05 0.03679209 17.40586237 1.51883735 0.43300663E-02 0.15850000E+05 0.03583189 17.44485906 1.51867842 0.42088318E-02 0.15900000E+05 0.03490518 17.48385123 1.51887095 0.40894229E-02 0.15950000E+05 0.03400991 17.52277942 1.51926857 0.39719772E-02 0.16000000E+05 0.03314414 17.56158449 1.51956537 0.38566343E-02 0.16050000E+05 0.03230608 17.60020823 1.51953172 0.37435164E-02 0.16100000E+05 0.03149401 17.63859407 1.51919405 0.36327070E-02 0.16150000E+05 0.03070639 17.67668771 1.51881745 0.35242398E-02 0.16200000E+05 0.02994175 17.71443762 1.51869775 0.34181060E-02 0.16250000E+05 0.02919874 17.75179555 1.51892503 0.33142780E-02 0.16300000E+05 0.02847613 17.78871684 1.51931264 0.32127398E-02 0.16350000E+05 0.02777280 17.82516072 1.51954962 0.31135047E-02 0.16400000E+05 0.02708770 17.86109039 1.51944941 0.30166147E-02 0.16450000E+05 0.02641990 17.89647313 1.51909739 0.29221224E-02 0.16500000E+05 0.02576853 17.93128023 1.51878181 0.28300680E-02 0.16550000E+05 0.02513283 17.96548693 1.51875883 0.27404605E-02 0.16600000E+05 0.02451208 17.99907233 1.51904125 0.26532714E-02 0.16650000E+05 0.02390567 18.03201921 1.51939065 0.25684408E-02 0.16700000E+05 0.02331302 18.06431391 1.51951942 0.24858962E-02 0.16750000E+05 0.02273361 18.09594617 1.51932654 0.24055757E-02 0.16800000E+05 0.02216699 18.12690888 1.51897501 0.23274449E-02 0.16850000E+05 0.02161275 18.15719792 1.51875597 0.22514965E-02 0.16900000E+05 0.02107051 18.18681181 1.51884913 0.21777323E-02 0.16950000E+05 0.02053993 18.21575146 1.51917284 0.21061393E-02 0.17000000E+05 0.02002072 18.24401987 1.51945404 0.20366784E-02 0.17050000E+05 0.01951260 18.27162183 1.51946139 0.19692924E-02 0.17100000E+05 0.01901532 18.29856364 1.51919611 0.19039227E-02 0.17150000E+05 0.01852863 18.32485282 1.51888163 0.18405189E-02 0.17200000E+05 0.01805234 18.35049795 1.51877485 0.17790354E-02 0.17250000E+05 0.01758624 18.37550838 1.51895753 0.17194253E-02 0.17300000E+05 0.01713014 18.39989414 1.51927250 0.16616426E-02 0.17350000E+05 0.01668387 18.42366580 1.51945759 0.16056512E-02 0.17400000E+05 0.01624726 18.44683431 1.51936744 0.15514275E-02 0.17450000E+05 0.01582014 18.46941093 1.51908946 0.14989491E-02 0.17500000E+05 0.01540237 18.49140711 1.51885787 0.14481771E-02 0.17550000E+05 0.01499381 18.51283440 1.51885434 0.13990512E-02 0.17600000E+05 0.01459429 18.53370434 1.51906656 0.13515047E-02 0.17650000E+05 0.01420369 18.55402840 1.51931012 0.13054853E-02 0.17700000E+05 0.01382187 18.57381794 1.51938715 0.12609613E-02 0.17750000E+05 0.01344868 18.59308416 1.51924972 0.12179080E-02 0.17800000E+05 0.01308400 18.61183813 1.51902886 0.11762920E-02 0.17850000E+05 0.01272770 18.63009077 1.51891021 0.11360688E-02 0.17900000E+05 0.01237965 18.64785291 1.51897693 0.10971925E-02 0.17950000E+05 0.01203971 18.66513527 1.51915389 0.10596253E-02 0.18000000E+05 0.01170776 18.68194850 1.51928516 0.10233348E-02 0.18050000E+05 0.01138367 18.69830311 1.51926906 0.98828471E-03 0.18100000E+05 0.01106733 18.71420956 1.51913772 0.95443030E-03 0.18150000E+05 0.01075860 18.72967815 1.51901666 0.92172263E-03 0.18200000E+05 0.01045735 18.74471907 1.51900690 0.89011918E-03 0.18250000E+05 0.01016347 18.75934238 1.51910203 0.85958985E-03 0.18300000E+05 0.00987684 18.77355803 1.51920701 0.83011198E-03 0.18350000E+05 0.00959732 18.78737587 1.51922780 0.80165865E-03 0.18400000E+05 0.00932480 18.80080568 1.51915227 0.77419202E-03 0.18450000E+05 0.00905915 18.81385716 1.51905653 0.74766867E-03 0.18500000E+05 0.00880025 18.82653992 1.51903175 0.72205138E-03 0.18550000E+05 0.00854798 18.83886347 1.51909912 0.69731464E-03 0.18600000E+05 0.00830222 18.85083722 1.51919488 0.67343824E-03 0.18650000E+05 0.00806284 18.86247039 1.51923264 0.65039635E-03 0.18700000E+05 0.00782973 18.87377209 1.51917750 0.62815382E-03 0.18750000E+05 0.00760276 18.88475124 1.51907427 0.60667310E-03 0.18800000E+05 0.00738181 18.89541660 1.51901210 0.58592387E-03 0.18850000E+05 0.00716676 18.90577674 1.51904845 0.56588597E-03 0.18900000E+05 0.00695749 18.91584006 1.51915543 0.54654397E-03 0.18950000E+05 0.00675387 18.92561471 1.51924395 0.52787968E-03 0.19000000E+05 0.00655580 18.93510870 1.51924243 0.50986984E-03 0.19050000E+05 0.00636315 18.94432978 1.51915244 0.49248973E-03 0.19100000E+05 0.00617580 18.95328553 1.51904365 0.47571773E-03 0.19150000E+05 0.00599364 18.96198329 1.51900189 0.45953501E-03 0.19200000E+05 0.00581654 18.97043020 1.51906201 0.44392057E-03 0.19250000E+05 0.00564440 18.97863317 1.51917546 0.42884820E-03 0.19300000E+05 0.00547709 18.98659889 1.51925082 0.41429023E-03 0.19350000E+05 0.00531450 18.99433385 1.51923323 0.40022575E-03 0.19400000E+05 0.00515653 19.00184434 1.51914377 0.38664534E-03 0.19450000E+05 0.00500306 19.00913645 1.51905402 0.37354709E-03 0.19500000E+05 0.00485398 19.01621610 1.51903072 0.36092677E-03 0.19550000E+05 0.00470918 19.02308899 1.51908677 0.34876982E-03 0.19600000E+05 0.00456855 19.02976065 1.51917095 0.33705081E-03 0.19650000E+05 0.00443200 19.03623638 1.51921443 0.32573972E-03 0.19700000E+05 0.00429940 19.04252130 1.51919326 0.31481014E-03 0.19750000E+05 0.00417068 19.04862028 1.51913977 0.30424453E-03 0.19800000E+05 0.00404571 19.05453803 1.51910165 0.29403464E-03 0.19850000E+05 0.00392441 19.06027904 1.51910200 0.28417764E-03 0.19900000E+05 0.00380668 19.06584761 1.51912762 0.27467078E-03 0.19950000E+05 0.00369242 19.07124787 1.51914566 0.26550730E-03 0.20000000E+05 0.00358153 19.07648381 1.51913997 0.25667550E-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 -0.007432 2.04653 2 0.1554312 -0.017011 1.50274 3 0.1597487 -0.015170 0.98384 4 0.1640662 -0.005572 0.47797 5 0.1683837 0.004595 -0.02702 6 0.1727013 0.009264 -0.53770 7 0.1770188 0.006941 -1.04959 8 0.1813363 0.000851 -1.54848 9 0.1856539 -0.004038 -2.02218 10 0.1899714 -0.004711 -2.47110 11 0.1942889 -0.001784 -2.90772 12 0.1986065 0.001719 2.93530 13 0.2029240 0.003097 2.48410 14 0.2072415 0.001860 2.03147 15 0.2115591 -0.000431 1.59650 16 0.2158766 -0.001769 1.18737 17 0.2201941 -0.001262 0.79331 18 0.2245117 0.000400 0.39581 19 0.2288292 0.001638 -0.01321 20 0.2331467 0.001304 -0.42042 21 0.2374643 -0.000292 -0.80508 22 0.2417818 -0.001531 -1.16414 23 0.2460993 -0.001017 -1.51389 24 0.2504169 0.000795 -1.87062 25 0.2547344 0.001812 -2.23128 26 0.2590519 0.000651 -2.57616 27 0.2633695 -0.001420 -2.89488 28 0.2676870 -0.001733 3.08433 29 0.2720045 0.000336 2.77716 30 0.2763221 0.002164 2.46411 31 0.2806396 0.001141 2.16138 32 0.2849571 -0.001551 1.88112 33 0.2892746 -0.002175 1.61467 34 0.2935922 0.000329 1.34467 35 0.2979097 0.002456 1.06772 36 0.3022272 0.000968 0.79937 37 0.3065448 -0.002119 0.55108 38 0.3108623 -0.002181 0.31346 39 0.3151798 0.001016 0.07010 40 0.3194974 0.002607 -0.17901 41 0.3238149 -0.000003 -0.41684 42 0.3281324 -0.002814 -0.63587 43 0.3324500 -0.001302 -0.84933 44 0.3367675 0.002221 -1.07104 45 0.3410850 0.002040 -1.29409 46 0.3454026 -0.001636 -1.50138 47 0.3497201 -0.002754 -1.69369 48 0.3540376 0.000613 -1.88822 49 0.3583552 0.002821 -2.09157 50 0.3626727 0.000050 -2.28845 51 0.3669902 -0.003031 -2.46740 52 0.3713078 -0.001106 -2.64031 53 0.3756253 0.002502 -2.82300 54 0.3799428 0.001461 -3.00869 55 0.3842604 -0.002417 3.10424 56 0.3885779 -0.002249 2.94678 57 0.3928954 0.001657 2.78276 58 0.3972129 0.002248 2.60928 59 0.4015305 -0.001540 2.44623 60 0.4058480 -0.002758 2.30027 61 0.4101655 0.000855 2.15243 62 0.4144831 0.002640 1.99165 63 0.4188006 -0.000676 1.83609 64 0.4231181 -0.002840 1.70007 65 0.4274357 0.000235 1.56689 66 0.4317532 0.002749 1.41908 67 0.4360707 -0.000010 1.27197 68 0.4403883 -0.002664 1.14563 69 0.4447058 -0.000017 1.02563 70 0.4490233 0.002937 0.88967 71 0.4533409 0.000648 0.75089 72 0.4576584 -0.002191 0.63409 73 0.4619759 0.000263 0.52621 74 0.4662935 0.003578 0.40101 75 0.4706110 0.001739 0.27126 76 0.4749285 -0.000955 0.16589 77 0.4792461 0.001677 0.07131 78 0.4835636 0.005421 -0.04246 79 0.4878811 0.003988 -0.16167 80 0.4921987 0.001588 -0.25461 81 0.4965162 0.004580 -0.33844 82 0.5008337 0.008703 -0.44654 83 0.5051512 0.007678 -0.55939 84 0.5094688 0.006062 -0.64120 85 0.5137863 0.010130 -0.71570 86 0.5181038 0.014957 -0.81837 87 0.5224214 0.014366 -0.92014 88 0.5267389 0.013869 -0.98512 89 0.5310564 0.019566 -1.04828 90 0.5353740 0.025228 -1.14432 91 0.5396915 0.024924 -1.23081 92 0.5440090 0.025786 -1.27644 93 0.5483266 0.033471 -1.33022 ******************************************************************************** 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 0.9981120E+00 0.1309177E-01 0.3892188E+00 1 0.4456484E-07 0.1738192E-01 0.1511495E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1371270E-06 0 26 1 0 0.5112180E-06 0 31 1 1 0.1038802E-05 0 13 3 -3 0.1196797E-07 0 17 3 -2 0.3621010E-07 0 22 3 -1 0.1081413E-06 0 27 3 0 0.5656250E-06 0 32 3 1 0.3132216E-05 0 36 3 2 0.7458179E-05 0 40 3 3 0.4672728E-05 0 7 5 -5 0.6342551E-09 0 10 5 -4 0.6987552E-09 0 14 5 -3 0.5947380E-08 0 18 5 -2 0.8597207E-08 0 23 5 -1 0.1715156E-06 0 28 5 0 0.3455259E-06 0 33 5 1 0.7090145E-05 0 37 5 2 0.3047636E-04 0 41 5 3 0.2241493E-03 0 44 5 4 0.4156321E-03 0 47 5 5 0.2741814E-03 0 3 7 -7 0.2034850E-11 0 5 7 -6 0.1797649E-11 0 8 7 -5 0.1078484E-10 0 11 7 -4 0.4177515E-10 0 15 7 -3 0.1494391E-08 0 19 7 -2 0.8047558E-08 0 24 7 -1 0.1727568E-06 0 29 7 0 0.2522767E-06 0 34 7 1 0.1182203E-04 0 38 7 2 0.1311083E-03 0 42 7 3 0.4241184E-02 0 45 7 4 0.7180306E-01 0 48 7 5 0.8287079E+00 0 50 7 6 0.8892589E-01 0 52 7 7 0.3320805E-02 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 0.3068224E-08 1 26 1 0 0.2582956E-08 1 31 1 1 0.3851398E-07 1 13 3 -3 0.1398556E-16 1 17 3 -2 0.1524185E-17 1 22 3 -1 0.1581967E-09 1 27 3 0 0.1102660E-17 1 32 3 1 0.8136366E-18 1 36 3 2 0.2414894E-09 1 40 3 3 0.1742400E-16 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 0.1041177E-08 1 0.1627444E-09 2 0.4618835E-08 3 0.2967100E-07 4 0.2795251E-07 5 0.2183153E-07 6 0.2991535E-07 7 0.1087057E-07 8 0.8683853E-08 9 0.2379398E-08 v, j, mj = 0 1 0 0 0.5944562E-16 1 0.5547270E-08 2 0.1485981E-07 3 0.2099721E-06 4 0.8424822E-07 5 0.5652948E-07 6 0.7010255E-07 7 0.4448318E-07 8 0.1956544E-07 9 0.5909978E-08 v, j, mj = 0 1 1 0 0.3394158E-15 1 0.6356099E-07 2 0.3651821E-06 3 0.2447174E-06 4 0.1058132E-06 5 0.8388713E-07 6 0.1107170E-06 7 0.5893995E-07 8 0.5283631E-08 9 0.7002496E-09 v, j, mj = 0 3 -3 0 0.9034507E-16 1 0.3796162E-10 2 0.3502196E-09 3 0.2507862E-09 4 0.4854875E-09 5 0.1498026E-08 6 0.2177380E-08 7 0.2440477E-08 8 0.4560159E-08 9 0.1674770E-09 v, j, mj = 0 3 -2 0 0.7482106E-16 1 0.2495167E-09 2 0.2378057E-08 3 0.3868019E-08 4 0.5372883E-08 5 0.3904359E-08 6 0.5466661E-08 7 0.1013695E-07 8 0.4017241E-08 9 0.8164103E-09 v, j, mj = 0 3 -1 0 0.1749451E-08 1 0.1539748E-07 2 0.5061515E-08 3 0.2212051E-07 4 0.7469411E-08 5 0.1044615E-07 6 0.3437594E-07 7 0.8997990E-08 8 0.2410651E-08 9 0.1122278E-09 v, j, mj = 0 3 0 0 0.3354989E-15 1 0.8420331E-08 2 0.1002398E-06 3 0.2000622E-06 4 0.1442949E-06 5 0.3576178E-07 6 0.3076874E-07 7 0.3546408E-07 8 0.1006168E-07 9 0.5515759E-09 v, j, mj = 0 3 1 0 0.2114766E-15 1 0.8020470E-07 2 0.1101702E-05 3 0.1064480E-05 4 0.4544430E-06 5 0.3025393E-06 6 0.9888459E-07 7 0.2704865E-07 8 0.2870781E-08 9 0.4291787E-10 v, j, mj = 0 3 2 0 0.5528057E-08 1 0.4150155E-06 2 0.4178142E-05 3 0.6564957E-06 4 0.7411610E-06 5 0.9644724E-06 6 0.4090876E-06 7 0.8394166E-07 8 0.4304579E-08 9 0.2987114E-10 v, j, mj = 0 3 3 0 0.1681146E-14 1 0.2203132E-05 2 0.8980361E-06 3 0.1047213E-05 4 0.2886923E-06 5 0.1572175E-06 6 0.6890752E-07 7 0.7619814E-08 8 0.1848431E-08 9 0.6122320E-10 v, j, mj = 0 5 -5 0 0.3291301E-16 1 0.1310940E-11 2 0.1839673E-11 3 0.6298316E-11 4 0.9101814E-11 5 0.2095679E-10 6 0.1137120E-09 7 0.4810355E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8912602E-12 1 0.6975243E-11 2 0.5156981E-10 3 0.6959492E-10 4 0.5268812E-10 5 0.1527013E-09 6 0.1067619E-09 7 0.2575727E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1422511E-16 1 0.2148803E-09 2 0.2303553E-09 3 0.1626731E-09 4 0.5350252E-09 5 0.1057017E-08 6 0.1729777E-08 7 0.2017652E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1752414E-15 1 0.2649232E-08 2 0.2183119E-08 3 0.3396053E-09 4 0.1021129E-08 5 0.1206944E-08 6 0.5996985E-09 7 0.5974784E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4243420E-07 1 0.1370935E-07 2 0.2136853E-07 3 0.7643454E-08 4 0.2547192E-07 5 0.3546051E-07 6 0.2040470E-07 7 0.5022979E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.9273290E-16 1 0.1348157E-07 2 0.7745457E-07 3 0.1430630E-06 4 0.7948447E-07 5 0.8175474E-08 6 0.1648855E-07 7 0.7378248E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.6969877E-15 1 0.2578704E-05 2 0.2039567E-05 3 0.1180276E-05 4 0.8172372E-06 5 0.3740702E-06 6 0.8693097E-07 7 0.1335922E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1530040E-06 1 0.2074617E-05 2 0.1769012E-04 3 0.8540035E-05 4 0.1683383E-05 5 0.2239412E-06 6 0.8357902E-07 7 0.2768632E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1955891E-14 1 0.6013125E-04 2 0.7603593E-04 3 0.8247975E-04 4 0.4399673E-05 5 0.9963265E-06 6 0.8502204E-07 7 0.2136861E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1481588E-15 1 0.8990466E-04 2 0.1291387E-03 3 0.1622407E-03 4 0.3238326E-04 5 0.1850326E-05 6 0.6713550E-07 7 0.4725637E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1118887E-04 1 0.1851980E-03 2 0.5651803E-04 3 0.8821579E-05 4 0.1091313E-04 5 0.1503925E-05 6 0.2577078E-07 7 0.1213343E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1916498E-14 1 0.3622138E-13 2 0.7776417E-14 3 0.1544266E-12 4 0.3839238E-12 5 0.1450585E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1728215E-15 1 0.8502339E-13 2 0.1360798E-12 3 0.7319411E-13 4 0.5540792E-12 5 0.9490994E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6928250E-16 1 0.3581414E-12 2 0.2873083E-12 3 0.2049966E-12 4 0.5053854E-11 5 0.4880473E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5545937E-13 1 0.8189158E-12 2 0.1835320E-11 3 0.3555790E-11 4 0.2285466E-10 5 0.1265500E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2108499E-15 1 0.2714270E-10 2 0.4164903E-10 3 0.1760752E-09 4 0.8593210E-09 5 0.3902032E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7809127E-17 1 0.9593251E-09 2 0.2068440E-08 3 0.2433327E-08 4 0.1057565E-08 5 0.1528901E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1505242E-07 1 0.1930999E-07 2 0.4851994E-07 3 0.1787504E-07 4 0.5454578E-07 5 0.1745364E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1330792E-16 1 0.6242050E-07 2 0.9005573E-07 3 0.1877662E-07 4 0.3420837E-07 5 0.4681550E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8495546E-16 1 0.2939924E-05 2 0.5543234E-05 3 0.1882080E-05 4 0.1202052E-05 5 0.2547381E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3082851E-06 1 0.1527977E-04 2 0.9086092E-04 3 0.2360084E-04 4 0.9036514E-06 5 0.1548021E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2024394E-16 1 0.1336244E-02 2 0.2527803E-02 3 0.3623888E-03 4 0.1439741E-04 5 0.3514103E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5449442E-16 1 0.3604974E-01 2 0.3263898E-01 3 0.3069922E-02 4 0.4427256E-04 5 0.1436766E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1492400E+00 1 0.4912657E+00 2 0.1806103E+00 3 0.7533058E-02 4 0.5834563E-04 5 0.4872220E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1088963E-15 1 0.2853716E-01 2 0.5299423E-01 3 0.7280460E-02 4 0.1137529E-03 5 0.2847046E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1647762E-15 1 0.7414509E-04 2 0.2427438E-02 3 0.7913111E-03 4 0.2778221E-04 5 0.1284752E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.6492204E-10 1 0.1270762E-08 2 0.1127160E-08 3 0.6053798E-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 1 0 0 0.2560271E-17 1 0.7651243E-09 2 0.1051094E-08 3 0.7667384E-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 1 1 0 0.1616388E-16 1 0.2732464E-07 2 0.8900402E-08 3 0.2288936E-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 -3 0 0.1398556E-16 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 0.1524185E-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 0.1581967E-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 3 0 0 0.1102660E-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 0.8136366E-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 0.2414894E-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 3 3 0 0.1742400E-16 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 = 0.9981120 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389219 average diffraction energy (ev) = 0.013092 the reaction probability = 0.1888005D-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 0.1001486E+01 0.2117257E-01 0.3888882E+00 1 0.3814362E-06 0.2256592E-01 0.7347734E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.5695464E-06 0 26 1 0 0.2181200E-05 0 31 1 1 0.4524472E-05 0 13 3 -3 0.2293236E-07 0 17 3 -2 0.1718571E-06 0 22 3 -1 0.7189632E-06 0 27 3 0 0.2812569E-05 0 32 3 1 0.1364806E-04 0 36 3 2 0.2816348E-04 0 40 3 3 0.1910417E-04 0 7 5 -5 0.1621615E-08 0 10 5 -4 0.1893692E-08 0 14 5 -3 0.9788902E-08 0 18 5 -2 0.2902079E-07 0 23 5 -1 0.5534670E-06 0 28 5 0 0.4018983E-05 0 33 5 1 0.3642530E-04 0 37 5 2 0.2048666E-03 0 41 5 3 0.8135332E-03 0 44 5 4 0.1203467E-02 0 47 5 5 0.4762967E-03 0 3 7 -7 0.9492157E-11 0 5 7 -6 0.1025572E-10 0 8 7 -5 0.2447854E-10 0 11 7 -4 0.1569936E-09 0 15 7 -3 0.2055729E-08 0 19 7 -2 0.1856839E-07 0 24 7 -1 0.1937631E-06 0 29 7 0 0.1012946E-05 0 34 7 1 0.3048558E-04 0 38 7 2 0.6063997E-03 0 42 7 3 0.1117664E-01 0 45 7 4 0.1363380E+00 0 48 7 5 0.6496230E+00 0 50 7 6 0.1802367E+00 0 52 7 7 0.2065739E-01 0 1 9 -9 0.2946239E-13 0 2 9 -8 0.4604144E-13 0 4 9 -7 0.4558881E-12 0 6 9 -6 0.1095202E-12 0 9 9 -5 0.2848098E-13 0 12 9 -4 0.2768778E-12 0 16 9 -3 0.4455763E-11 0 20 9 -2 0.7210557E-10 0 25 9 -1 0.2124146E-08 0 30 9 0 0.6961125E-09 0 35 9 1 0.3669222E-08 0 39 9 2 0.2120954E-07 0 43 9 3 0.1490601E-06 0 46 9 4 0.1007996E-05 0 49 9 5 0.1505930E-05 0 51 9 6 0.1507279E-05 0 53 9 7 0.9289376E-06 0 54 9 8 0.7557486E-07 0 55 9 9 0.1359062E-06 1 21 1 -1 0.6607789E-08 1 26 1 0 0.1349830E-07 1 31 1 1 0.4744254E-07 1 13 3 -3 0.2751138E-10 1 17 3 -2 0.5742321E-10 1 22 3 -1 0.8323618E-08 1 27 3 0 0.3713943E-08 1 32 3 1 0.1060460E-06 1 36 3 2 0.6459759E-07 1 40 3 3 0.1311214E-06 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 0.1163718E-07 1 0.3589662E-08 2 0.5387495E-07 3 0.2856689E-06 4 0.8694146E-07 5 0.3262775E-07 6 0.3764548E-07 7 0.4296440E-07 8 0.8005582E-08 9 0.6591023E-08 v, j, mj = 0 1 0 0 0.1920243E-15 1 0.6816750E-07 2 0.3984930E-06 3 0.1379981E-05 4 0.1682505E-06 5 0.6832430E-07 6 0.5536375E-07 7 0.2924421E-07 8 0.8464386E-08 9 0.4911730E-08 v, j, mj = 0 1 1 0 0.2186285E-14 1 0.2582740E-06 2 0.2445185E-05 3 0.1305916E-05 4 0.1724238E-06 5 0.7751545E-07 6 0.1210363E-06 7 0.1353969E-06 8 0.6401822E-08 9 0.2322976E-08 v, j, mj = 0 3 -3 0 0.2679060E-15 1 0.3700924E-10 2 0.1989372E-08 3 0.2425433E-08 4 0.3208999E-08 5 0.2025805E-08 6 0.4114088E-08 7 0.3167906E-08 8 0.3685359E-08 9 0.2278389E-08 v, j, mj = 0 3 -2 0 0.1012565E-14 1 0.1279378E-07 2 0.5146231E-08 3 0.7522629E-07 4 0.4403419E-07 5 0.1005242E-07 6 0.4788710E-08 7 0.9491182E-08 8 0.5664933E-08 9 0.4659327E-08 v, j, mj = 0 3 -1 0 0.1473731E-07 1 0.5478267E-07 2 0.8288004E-07 3 0.3450537E-06 4 0.1387785E-06 5 0.2285862E-07 6 0.4322763E-07 7 0.1371423E-07 8 0.2126272E-08 9 0.8043119E-09 v, j, mj = 0 3 0 0 0.4557003E-14 1 0.1370326E-07 2 0.6836674E-06 3 0.1423320E-05 4 0.5576520E-06 5 0.5339024E-07 6 0.3887312E-07 7 0.2922928E-07 8 0.8803390E-08 9 0.3929582E-08 v, j, mj = 0 3 1 0 0.4364947E-14 1 0.7408669E-06 2 0.6827733E-05 3 0.4752940E-05 4 0.8366271E-06 5 0.3559320E-06 6 0.8820092E-07 7 0.3728508E-07 8 0.6907111E-08 9 0.1565182E-08 v, j, mj = 0 3 2 0 0.1898608E-07 1 0.3773470E-05 2 0.2120179E-04 3 0.7799123E-06 4 0.9959297E-06 5 0.1066035E-05 6 0.2392587E-06 7 0.7642150E-07 8 0.9547765E-08 9 0.2128806E-08 v, j, mj = 0 3 3 0 0.2853724E-13 1 0.1008748E-04 2 0.3157217E-05 3 0.4142810E-05 4 0.1275689E-05 5 0.2207316E-06 6 0.1776771E-06 7 0.3560140E-07 8 0.5462718E-08 9 0.1504901E-08 v, j, mj = 0 5 -5 0 0.2079157E-15 1 0.5824480E-11 2 0.2746310E-10 3 0.2704805E-10 4 0.2624946E-10 5 0.1121631E-09 6 0.1260647E-09 7 0.5332279E-09 8 0.7635740E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.6998528E-11 1 0.6437720E-10 2 0.5506091E-09 3 0.1479645E-09 4 0.1114219E-09 5 0.1277818E-09 6 0.1347688E-09 7 0.5789546E-09 8 0.1708152E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1937203E-15 1 0.1459887E-08 2 0.5734763E-09 3 0.7782137E-09 4 0.1184719E-08 5 0.1594462E-08 6 0.2378111E-08 7 0.1158894E-08 8 0.6611381E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2230790E-14 1 0.2607366E-08 2 0.3863888E-08 3 0.8829959E-08 4 0.8081224E-08 5 0.2997008E-08 6 0.1235413E-08 7 0.1013843E-08 8 0.3920821E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.8858117E-07 1 0.7566426E-08 2 0.1277031E-06 3 0.1651455E-06 4 0.1158431E-06 5 0.2470667E-07 6 0.2016860E-07 7 0.2737560E-08 8 0.1014877E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2974895E-14 1 0.5759722E-07 2 0.9720249E-06 3 0.2290515E-05 4 0.6251013E-06 5 0.4388743E-07 6 0.1601087E-07 7 0.1203481E-07 8 0.1811395E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2412653E-13 1 0.3387410E-05 2 0.1643134E-04 3 0.1260374E-04 4 0.3484113E-05 5 0.4323627E-06 6 0.7387310E-07 7 0.7338931E-08 8 0.5118614E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.9196683E-07 1 0.1368347E-04 2 0.1190168E-03 3 0.5718962E-04 4 0.1334405E-04 5 0.1353197E-05 6 0.1498799E-06 7 0.3092145E-07 8 0.6714354E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3316110E-13 1 0.2591297E-03 2 0.1987474E-03 3 0.2963894E-03 4 0.5570084E-04 5 0.3299022E-05 6 0.2430156E-06 7 0.1824193E-07 8 0.5533956E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2729649E-14 1 0.5188284E-03 2 0.7182239E-04 3 0.4663139E-03 4 0.1366789E-03 5 0.9666219E-05 6 0.1032770E-06 7 0.4174634E-07 8 0.1268736E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.6091217E-04 1 0.2398614E-03 2 0.1464131E-03 3 0.1185661E-04 4 0.9728152E-05 5 0.7222624E-05 6 0.2765493E-06 7 0.1301872E-07 8 0.1312899E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2447027E-13 1 0.4373769E-13 2 0.2019575E-12 3 0.4088606E-12 4 0.1202132E-11 5 0.2994267E-11 6 0.4616733E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.5063989E-15 1 0.3410942E-13 2 0.3934394E-12 3 0.1858914E-12 4 0.8261604E-12 5 0.3563059E-11 6 0.5252554E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2729801E-15 1 0.7697468E-12 2 0.5514601E-12 3 0.1320108E-11 4 0.5605540E-11 5 0.1065043E-10 6 0.5580979E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5557223E-12 1 0.3175324E-11 2 0.2121453E-10 3 0.7825641E-11 4 0.3475331E-10 5 0.6320324E-10 6 0.2626581E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4207385E-15 1 0.3070317E-10 2 0.5585737E-10 3 0.6336091E-09 4 0.9430713E-09 5 0.2256813E-09 6 0.1668068E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3212729E-16 1 0.1564824E-09 2 0.2741164E-08 3 0.7994391E-08 4 0.1444279E-08 5 0.4887937E-08 6 0.1344140E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1197614E-07 1 0.1561731E-07 2 0.5163162E-07 3 0.4904041E-07 4 0.5303392E-07 5 0.6641530E-08 6 0.5822147E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3327443E-16 1 0.1686002E-06 2 0.3799198E-06 3 0.2115812E-06 4 0.1048934E-06 5 0.1293259E-06 6 0.1862545E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9052877E-15 1 0.4661323E-05 2 0.1399552E-04 3 0.1051663E-04 4 0.1157937E-05 5 0.1006863E-06 6 0.5349221E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4552488E-06 1 0.4602150E-04 2 0.3712899E-03 3 0.1779797E-03 4 0.1002985E-04 5 0.5631185E-06 6 0.6036832E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.7366206E-14 1 0.1136529E-02 2 0.7706886E-02 3 0.2222030E-02 4 0.1107079E-03 5 0.4195943E-06 6 0.6915600E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.4217358E-15 1 0.4481129E-01 2 0.7781914E-01 3 0.1329970E-01 4 0.4055377E-03 5 0.2260138E-05 6 0.3584073E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1234171E+00 1 0.2632902E+00 2 0.2422005E+00 3 0.2026059E-01 4 0.4505805E-03 5 0.3861378E-05 6 0.1280874E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1030730E-14 1 0.1168023E-01 2 0.1214701E+00 3 0.4505795E-01 4 0.2016990E-02 5 0.1138712E-04 6 0.4686667E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.8594191E-14 1 0.6330749E-03 2 0.9746098E-02 3 0.9460323E-02 4 0.8129189E-03 5 0.4950405E-05 6 0.2903861E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3100454E-15 1 0.1111588E-13 2 0.1803647E-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 0.1351401E-17 1 0.6249596E-14 2 0.3979049E-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 -7 0 0.1309497E-12 1 0.3003756E-12 2 0.2456279E-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 -6 0 0.3665417E-16 1 0.3590017E-13 2 0.7358338E-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 -5 0 0.1543112E-16 1 0.1589746E-13 2 0.1256809E-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 -4 0 0.1017312E-13 1 0.1446854E-12 2 0.1220193E-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 -3 0 0.5781029E-17 1 0.1842097E-11 2 0.2613660E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3917421E-17 1 0.1456874E-10 2 0.5753683E-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 -1 0 0.1692738E-09 1 0.1312488E-08 2 0.6423840E-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 0 0 0.3120305E-16 1 0.2546570E-09 2 0.4414554E-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 1 0 0.2119327E-16 1 0.2127399E-08 2 0.1541823E-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 2 0 0.2374103E-08 1 0.9092994E-08 2 0.9742441E-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 0.1030439E-16 1 0.1341172E-07 2 0.1356484E-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 4 0 0.5428912E-17 1 0.9358599E-06 2 0.7213653E-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 0.5197442E-06 1 0.8874366E-06 2 0.9874905E-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 6 0 0.5606264E-17 1 0.1311636E-05 2 0.1956436E-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 7 0 0.3684171E-15 1 0.7666082E-06 2 0.1623294E-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 8 0 0.5622696E-08 1 0.5538521E-07 2 0.1456696E-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 9 0 0.7354995E-16 1 0.1278367E-06 2 0.8069508E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.7584056E-09 1 0.6653238E-09 2 0.9285123E-09 3 0.1285164E-08 4 0.2970384E-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 0.2607042E-16 1 0.4243509E-09 2 0.2868053E-08 3 0.9072708E-08 4 0.1133187E-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 1 0 0.5895213E-17 1 0.9437467E-09 2 0.1750852E-07 3 0.4847921E-08 4 0.2414236E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.5223031E-16 1 0.1977135E-12 2 0.2060859E-10 3 0.6705022E-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 3 -2 0 0.6667933E-17 1 0.2524604E-11 2 0.4896460E-10 3 0.5933996E-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 3 -1 0 0.1504359E-08 1 0.3905059E-08 2 0.2834454E-08 3 0.7974636E-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 3 0 0 0.3365009E-17 1 0.1015561E-08 2 0.2584441E-08 3 0.1139405E-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 0.6061083E-18 1 0.9096900E-07 2 0.1495411E-07 3 0.1228867E-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 0.5439946E-09 1 0.4149416E-07 2 0.2182159E-07 3 0.7378525E-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 0.9068452E-16 1 0.1071482E-06 2 0.1692406E-07 3 0.7049183E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0014867 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.388888 average diffraction energy (ev) = 0.021173 the reaction probability = -0.1486661D-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 0.9985597E+00 0.3077196E-01 0.3881486E+00 1 0.9161934E-06 0.3436219E-01 0.7578436E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2628770E-05 0 26 1 0 0.1114910E-04 0 31 1 1 0.2091495E-04 0 13 3 -3 0.1573322E-06 0 17 3 -2 0.1533302E-05 0 22 3 -1 0.5707299E-05 0 27 3 0 0.1286982E-04 0 32 3 1 0.4567947E-04 0 36 3 2 0.1176379E-03 0 40 3 3 0.6547657E-04 0 7 5 -5 0.2097657E-08 0 10 5 -4 0.1236826E-07 0 14 5 -3 0.7538760E-07 0 18 5 -2 0.3239732E-06 0 23 5 -1 0.4431148E-05 0 28 5 0 0.3392419E-04 0 33 5 1 0.2002260E-03 0 37 5 2 0.8649886E-03 0 41 5 3 0.1854973E-02 0 44 5 4 0.2716506E-02 0 47 5 5 0.8775290E-03 0 3 7 -7 0.2921500E-10 0 5 7 -6 0.2844445E-10 0 8 7 -5 0.1135820E-09 0 11 7 -4 0.5886262E-09 0 15 7 -3 0.3716562E-08 0 19 7 -2 0.3782786E-07 0 24 7 -1 0.3565473E-06 0 29 7 0 0.5881865E-05 0 34 7 1 0.1323692E-03 0 38 7 2 0.2619630E-02 0 42 7 3 0.3021682E-01 0 45 7 4 0.2010928E+00 0 48 7 5 0.4297605E+00 0 50 7 6 0.2411358E+00 0 52 7 7 0.8673776E-01 0 1 9 -9 0.8843351E-12 0 2 9 -8 0.1882667E-11 0 4 9 -7 0.1734411E-11 0 6 9 -6 0.5791421E-12 0 9 9 -5 0.9050545E-12 0 12 9 -4 0.2431496E-10 0 16 9 -3 0.2955805E-09 0 20 9 -2 0.1365861E-08 0 25 9 -1 0.5076057E-08 0 30 9 0 0.1669473E-07 0 35 9 1 0.6551524E-07 0 39 9 2 0.2788171E-06 0 43 9 3 0.1011223E-05 0 46 9 4 0.2669702E-05 0 49 9 5 0.1134175E-04 0 51 9 6 0.2616083E-05 0 53 9 7 0.1570025E-05 0 54 9 8 0.3682251E-06 0 55 9 9 0.1054476E-05 1 21 1 -1 0.1829728E-07 1 26 1 0 0.2853017E-07 1 31 1 1 0.8628162E-07 1 13 3 -3 0.3922459E-09 1 17 3 -2 0.4450398E-09 1 22 3 -1 0.9869309E-08 1 27 3 0 0.1421073E-07 1 32 3 1 0.5585512E-07 1 36 3 2 0.8103772E-07 1 40 3 3 0.6210824E-06 1 7 5 -5 0.1563799E-17 1 10 5 -4 0.3971567E-15 1 14 5 -3 0.6129208E-17 1 18 5 -2 0.7033949E-20 1 23 5 -1 0.2729102E-11 1 28 5 0 0.8253822E-20 1 33 5 1 0.8150921E-19 1 37 5 2 0.1025268E-10 1 41 5 3 0.5276315E-17 1 44 5 4 0.3819907E-18 1 47 5 5 0.1788023E-09 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 0.3364133E-07 1 0.1094843E-06 2 0.2459386E-06 3 0.1719440E-05 4 0.3538716E-06 5 0.6365655E-07 6 0.5207483E-07 7 0.3713524E-07 8 0.8633306E-08 9 0.4893425E-08 v, j, mj = 0 1 0 0 0.8013777E-15 1 0.3327904E-06 2 0.3012503E-05 3 0.6668185E-05 4 0.9434565E-06 5 0.1087026E-06 6 0.4308003E-07 7 0.3029624E-07 8 0.7649506E-08 9 0.2434304E-08 v, j, mj = 0 1 1 0 0.5995312E-14 1 0.1030282E-05 2 0.1102954E-04 3 0.6716431E-05 4 0.1500015E-05 5 0.3136170E-06 6 0.1902431E-06 7 0.9706587E-07 8 0.2972903E-07 9 0.8030434E-08 v, j, mj = 0 3 -3 0 0.1344971E-15 1 0.4134742E-07 2 0.5264919E-08 3 0.3871194E-07 4 0.4745429E-07 5 0.7868714E-08 6 0.6982937E-08 7 0.4500596E-08 8 0.2537564E-08 9 0.2663776E-08 v, j, mj = 0 3 -2 0 0.5337592E-14 1 0.1397082E-06 2 0.3588567E-07 3 0.9209927E-06 4 0.3861704E-06 5 0.2143379E-07 6 0.1223226E-07 7 0.5136625E-08 8 0.6726041E-08 9 0.5015904E-08 v, j, mj = 0 3 -1 0 0.3017453E-06 1 0.4800257E-07 2 0.8355081E-06 3 0.3577718E-05 4 0.8199246E-06 5 0.5876983E-07 6 0.3728541E-07 7 0.2403887E-07 8 0.3274198E-08 9 0.1031366E-08 v, j, mj = 0 3 0 0 0.2040138E-13 1 0.8568945E-07 2 0.4925336E-05 3 0.6542016E-05 4 0.1129276E-05 5 0.1060114E-06 6 0.5146486E-07 7 0.1792858E-07 8 0.7451558E-08 9 0.4647226E-08 v, j, mj = 0 3 1 0 0.2374939E-13 1 0.3712364E-05 2 0.2752963E-04 3 0.1242185E-04 4 0.1275303E-05 5 0.4474922E-06 6 0.2455759E-06 7 0.3939129E-07 8 0.4735016E-08 9 0.3137338E-08 v, j, mj = 0 3 2 0 0.3014471E-07 1 0.1576004E-04 2 0.9208193E-04 3 0.5452703E-05 4 0.3438748E-05 5 0.5653305E-06 6 0.2520113E-06 7 0.4506603E-07 8 0.8187449E-08 9 0.3697579E-08 v, j, mj = 0 3 3 0 0.2199647E-12 1 0.3036991E-04 2 0.6261031E-05 3 0.1780187E-04 4 0.4988485E-05 5 0.4159822E-05 6 0.1607236E-05 7 0.2690563E-06 8 0.1274588E-07 9 0.6413628E-08 v, j, mj = 0 5 -5 0 0.1238533E-14 1 0.3764680E-10 2 0.7401767E-09 3 0.2067641E-09 4 0.1692595E-09 5 0.1872744E-09 6 0.1345948E-09 7 0.2390054E-09 8 0.3829339E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1334651E-10 1 0.1593103E-08 2 0.6517878E-08 3 0.9317495E-09 4 0.1314987E-08 5 0.4719641E-09 6 0.4797591E-09 7 0.7649616E-09 8 0.2805081E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3014513E-14 1 0.2849726E-07 2 0.4750616E-08 3 0.1730668E-07 4 0.1655998E-07 5 0.3344695E-08 6 0.2956293E-08 7 0.1516905E-08 8 0.4551698E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1073573E-13 1 0.1043321E-07 2 0.7742319E-08 3 0.1887618E-06 4 0.1014162E-06 5 0.1128789E-07 6 0.2587047E-08 7 0.7454703E-09 8 0.9993417E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1451929E-06 1 0.3341217E-07 2 0.1092108E-05 3 0.2435734E-05 4 0.6613718E-06 5 0.4514372E-07 6 0.1180575E-07 7 0.4937675E-08 8 0.1441437E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2879504E-13 1 0.2672713E-06 2 0.9884291E-05 3 0.2032464E-04 4 0.3230810E-05 5 0.1849512E-06 6 0.1270553E-07 7 0.1489122E-07 8 0.4626698E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2952562E-12 1 0.1429960E-04 2 0.1015114E-03 3 0.6970149E-04 4 0.1348671E-04 5 0.1151596E-05 6 0.5944582E-07 7 0.8597637E-08 8 0.7213352E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2345050E-06 1 0.6471239E-04 2 0.5281507E-03 3 0.2144361E-03 4 0.5177359E-04 5 0.5222831E-05 6 0.3987299E-06 7 0.4172745E-07 8 0.1799907E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1426844E-12 1 0.6776141E-03 2 0.2882347E-03 3 0.6613761E-03 4 0.2113958E-03 5 0.1569713E-04 6 0.6088764E-06 7 0.4054840E-07 8 0.5774975E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1686472E-13 1 0.1612757E-02 2 0.1755354E-03 3 0.6088860E-03 4 0.2953736E-03 5 0.2349128E-04 6 0.3784933E-06 7 0.4951939E-07 8 0.3419251E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3098563E-03 1 0.2431633E-03 2 0.1190441E-03 3 0.2885533E-04 4 0.9185584E-04 5 0.7811633E-04 6 0.6541293E-05 7 0.8916087E-07 8 0.7364006E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2237126E-12 1 0.8956310E-13 2 0.2724674E-12 3 0.9354463E-12 4 0.2905057E-11 5 0.1184517E-10 6 0.9602427E-11 7 0.3341161E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2050093E-13 1 0.3857084E-12 2 0.1745741E-11 3 0.1290519E-11 4 0.3032946E-11 5 0.7397871E-11 6 0.1031983E-10 7 0.4251338E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6029542E-15 1 0.6828446E-11 2 0.1202902E-10 3 0.9001003E-11 4 0.1175988E-10 5 0.7121234E-11 6 0.6520443E-10 7 0.1637388E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5034365E-11 1 0.3823547E-10 2 0.2603237E-09 3 0.2444537E-10 4 0.4713444E-10 5 0.1417807E-09 6 0.6360172E-10 7 0.8070429E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3286753E-15 1 0.3025395E-09 2 0.2910634E-09 3 0.1211859E-08 4 0.8308151E-09 5 0.2805919E-09 6 0.7684432E-09 7 0.3124928E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1532298E-14 1 0.3216373E-08 2 0.5744127E-08 3 0.1896301E-07 4 0.3201923E-08 5 0.4743978E-08 6 0.1893358E-08 7 0.6509280E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4292160E-07 1 0.5018269E-07 2 0.3994434E-07 3 0.1157380E-06 4 0.8717425E-07 5 0.1045057E-07 6 0.9822959E-08 7 0.3129138E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1090310E-14 1 0.3437055E-06 2 0.2342524E-05 3 0.2456429E-05 4 0.6138785E-06 5 0.1067013E-06 6 0.1820061E-07 7 0.4264648E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3284391E-13 1 0.4834973E-05 2 0.5462879E-04 3 0.6579582E-04 4 0.6729192E-05 5 0.3165420E-06 6 0.6181909E-07 7 0.2067416E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.5389632E-06 1 0.1887859E-03 2 0.1428477E-02 3 0.9189259E-03 4 0.8114954E-04 5 0.1692453E-05 6 0.5776739E-07 7 0.2191077E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1685587E-12 1 0.1945559E-02 2 0.1990940E-01 3 0.7799710E-02 4 0.5552049E-03 5 0.6815552E-05 6 0.1288973E-06 7 0.1953324E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3720289E-14 1 0.4537168E-01 2 0.1250675E+00 3 0.2914059E-01 4 0.1494681E-02 5 0.1817416E-04 6 0.1610242E-06 7 0.4923798E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1393143E+00 1 0.1029856E+00 2 0.1666111E+00 3 0.1922300E-01 4 0.1577217E-02 5 0.4857598E-04 6 0.6672414E-06 7 0.8385358E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.7271257E-14 1 0.1016031E-03 2 0.1135541E+00 3 0.1143544E+00 4 0.1292570E-01 5 0.1994536E-03 6 0.5834819E-06 7 0.1153821E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1635689E-12 1 0.2000912E-02 2 0.2260598E-01 3 0.4997028E-01 4 0.1184324E-01 5 0.3163014E-03 6 0.1037461E-05 7 0.1592294E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2045217E-16 1 0.1115652E-13 2 0.1084434E-12 3 0.7513484E-12 4 0.1336635E-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 0.4595763E-17 1 0.1404566E-12 2 0.8502205E-12 3 0.8891054E-12 4 0.2880175E-14 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 0.5110214E-13 1 0.4566850E-12 2 0.5280763E-12 3 0.6962893E-12 4 0.2258190E-14 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 0.2401019E-16 1 0.1313105E-12 2 0.1050062E-12 3 0.3350921E-12 4 0.7709182E-14 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 0.3179449E-16 1 0.5705712E-13 2 0.1605686E-12 3 0.6611478E-12 4 0.2624907E-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 -4 0 0.1060514E-12 1 0.2415734E-11 2 0.1969746E-11 3 0.1980820E-10 4 0.1523279E-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 -3 0 0.4228713E-16 1 0.2618313E-11 2 0.3077545E-10 3 0.2615794E-09 4 0.6072559E-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 -2 0 0.1077491E-16 1 0.4002695E-10 2 0.2597357E-09 3 0.1058646E-08 4 0.7451403E-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 0.3946202E-09 1 0.1930402E-08 2 0.9200594E-09 3 0.1808935E-08 4 0.2204059E-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 0 0 0.3481884E-17 1 0.4152526E-09 2 0.1836038E-08 3 0.1440065E-07 4 0.4278502E-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 0.1364707E-16 1 0.7640919E-08 2 0.3424455E-08 3 0.5439228E-07 4 0.5758965E-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 2 0 0.6434549E-09 1 0.4269118E-08 2 0.3681767E-07 3 0.2368343E-06 4 0.2524668E-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 3 0 0.1923237E-16 1 0.2489357E-06 2 0.2395348E-06 3 0.5223457E-06 4 0.4069998E-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 0.1789049E-16 1 0.2257220E-06 2 0.9888595E-06 3 0.1454999E-05 4 0.1214891E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.7427951E-05 1 0.3155895E-05 2 0.5227318E-06 3 0.2345998E-06 4 0.5748966E-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 0.4249311E-17 1 0.6522338E-06 2 0.4232950E-06 3 0.1540194E-05 4 0.3605683E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1665430E-16 1 0.1918620E-06 2 0.6978994E-06 3 0.6786523E-06 4 0.1611583E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.7746941E-08 1 0.1159176E-06 2 0.1036047E-06 3 0.1408082E-06 4 0.1477343E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1782872E-16 1 0.3270493E-06 2 0.1625941E-06 3 0.5643773E-06 4 0.4554059E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2015932E-08 1 0.2994540E-08 2 0.1464534E-08 3 0.9925761E-09 4 0.5447450E-08 5 0.5382246E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.4285340E-15 1 0.3397672E-08 2 0.2562033E-08 3 0.7601590E-08 4 0.1227218E-07 5 0.2696690E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.7411553E-15 1 0.4164606E-08 2 0.1843261E-07 3 0.8239640E-08 4 0.3244138E-07 5 0.2300338E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2248264E-15 1 0.5589900E-12 2 0.2975389E-10 3 0.1219421E-09 4 0.2399906E-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 -2 0 0.5057962E-17 1 0.4924334E-10 2 0.1017926E-09 3 0.2215124E-09 4 0.7249140E-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 3 -1 0 0.5753684E-09 1 0.4493794E-08 2 0.3241962E-08 3 0.1486207E-08 4 0.7197706E-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 3 0 0 0.6717625E-16 1 0.3907975E-08 2 0.4066748E-08 3 0.5797185E-08 4 0.4388193E-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 0.1679260E-15 1 0.3323866E-07 2 0.1840064E-07 3 0.3149054E-08 4 0.1066770E-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 0.8247565E-09 1 0.3930154E-07 2 0.2305799E-07 3 0.9292861E-08 4 0.8560576E-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 0.6050836E-16 1 0.2977244E-06 2 0.2307935E-06 3 0.8714556E-07 4 0.5418899E-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 = 0.9985606 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.388148 average diffraction energy (ev) = 0.030772 the reaction probability = 0.1439412D-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 0.9981983E+00 0.4030560E-01 0.3866878E+00 1 0.9822928E-05 0.2515482E-01 0.8901873E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1397754E-04 0 26 1 0 0.4529597E-04 0 31 1 1 0.8156098E-04 0 13 3 -3 0.2597417E-05 0 17 3 -2 0.1199284E-04 0 22 3 -1 0.3229659E-04 0 27 3 0 0.3992584E-04 0 32 3 1 0.1166175E-03 0 36 3 2 0.4160117E-03 0 40 3 3 0.1885387E-03 0 7 5 -5 0.6798403E-07 0 10 5 -4 0.1740383E-06 0 14 5 -3 0.1094189E-05 0 18 5 -2 0.4043400E-05 0 23 5 -1 0.3362753E-04 0 28 5 0 0.1954099E-03 0 33 5 1 0.8048512E-03 0 37 5 2 0.2221460E-02 0 41 5 3 0.3095117E-02 0 44 5 4 0.5064016E-02 0 47 5 5 0.2280958E-02 0 3 7 -7 0.1267316E-09 0 5 7 -6 0.1610476E-09 0 8 7 -5 0.8686915E-09 0 11 7 -4 0.4056535E-08 0 15 7 -3 0.8483566E-08 0 19 7 -2 0.1634572E-06 0 24 7 -1 0.1653016E-05 0 29 7 0 0.4286771E-04 0 34 7 1 0.6977532E-03 0 38 7 2 0.9234182E-02 0 42 7 3 0.6565254E-01 0 45 7 4 0.2144445E+00 0 48 7 5 0.2840889E+00 0 50 7 6 0.2133030E+00 0 52 7 7 0.1959922E+00 0 1 9 -9 0.4188173E-11 0 2 9 -8 0.6588497E-11 0 4 9 -7 0.2849357E-11 0 6 9 -6 0.5179408E-11 0 9 9 -5 0.1821893E-10 0 12 9 -4 0.1684712E-09 0 16 9 -3 0.9678575E-09 0 20 9 -2 0.3405682E-08 0 25 9 -1 0.9905201E-08 0 30 9 0 0.3239883E-07 0 35 9 1 0.1516536E-06 0 39 9 2 0.9787634E-06 0 43 9 3 0.2133487E-05 0 46 9 4 0.2880887E-05 0 49 9 5 0.6661250E-04 0 51 9 6 0.1462432E-04 0 53 9 7 0.7330776E-06 0 54 9 8 0.1195545E-05 0 55 9 9 0.1436020E-05 1 21 1 -1 0.3923743E-07 1 26 1 0 0.1033938E-06 1 31 1 1 0.3747322E-06 1 13 3 -3 0.1112454E-08 1 17 3 -2 0.2013410E-08 1 22 3 -1 0.1504266E-07 1 27 3 0 0.4450728E-07 1 32 3 1 0.1864896E-06 1 36 3 2 0.1087803E-05 1 40 3 3 0.7454118E-05 1 7 5 -5 0.7658413E-12 1 10 5 -4 0.1472316E-11 1 14 5 -3 0.2885362E-10 1 18 5 -2 0.1762205E-08 1 23 5 -1 0.8864587E-08 1 28 5 0 0.1367268E-08 1 33 5 1 0.3634257E-07 1 37 5 2 0.4563131E-08 1 41 5 3 0.4867650E-07 1 44 5 4 0.1396174E-06 1 47 5 5 0.2732533E-06 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 0.2345023E-06 1 0.7111220E-07 2 0.8851500E-06 3 0.7297816E-05 4 0.3442050E-05 5 0.1567853E-05 6 0.3689541E-06 7 0.9521464E-07 8 0.8168293E-08 9 0.6719244E-08 v, j, mj = 0 1 0 0 0.1002830E-13 1 0.8579847E-06 2 0.7921209E-05 3 0.2466296E-04 4 0.9876411E-05 5 0.1628790E-05 6 0.2619000E-06 7 0.7619730E-07 8 0.8578576E-08 9 0.1942505E-08 v, j, mj = 0 1 1 0 0.2569092E-13 1 0.2537936E-05 2 0.3480311E-04 3 0.1902900E-04 4 0.1393489E-04 5 0.7475057E-05 6 0.2907315E-05 7 0.6946869E-06 8 0.1690554E-06 9 0.9933182E-08 v, j, mj = 0 3 -3 0 0.2321674E-14 1 0.2763388E-06 2 0.5516869E-06 3 0.8082890E-06 4 0.7470827E-06 5 0.1655648E-06 6 0.3809105E-07 7 0.5579571E-08 8 0.1608616E-08 9 0.3176053E-08 v, j, mj = 0 3 -2 0 0.9934165E-14 1 0.8462099E-06 2 0.9843134E-06 3 0.7238269E-05 4 0.2718000E-05 5 0.1544548E-06 6 0.3272898E-07 7 0.9051910E-08 8 0.5408471E-08 9 0.4400930E-08 v, j, mj = 0 3 -1 0 0.1886942E-05 1 0.6383319E-06 2 0.5094267E-05 3 0.2106994E-04 4 0.3361932E-05 5 0.1749206E-06 6 0.3935930E-07 7 0.2538149E-07 8 0.4315370E-08 9 0.1203552E-08 v, j, mj = 0 3 0 0 0.4332764E-13 1 0.3052113E-06 2 0.2136460E-04 3 0.1662143E-04 4 0.9847639E-06 5 0.4081842E-06 6 0.1660638E-06 7 0.6753391E-07 8 0.4187167E-08 9 0.3863781E-08 v, j, mj = 0 3 1 0 0.1412123E-12 1 0.1205100E-04 2 0.6625394E-04 3 0.2835708E-04 4 0.6955499E-05 5 0.2111505E-05 6 0.7714550E-06 7 0.1008664E-06 8 0.9614204E-08 9 0.6562103E-08 v, j, mj = 0 3 2 0 0.1194651E-06 1 0.4273659E-04 2 0.2977992E-03 3 0.3822389E-04 4 0.2427979E-04 5 0.9761446E-05 6 0.2877974E-05 7 0.1996678E-06 8 0.9571365E-08 9 0.4191001E-08 v, j, mj = 0 3 3 0 0.5449703E-12 1 0.4619885E-04 2 0.6760176E-05 3 0.5313544E-04 4 0.1765541E-04 5 0.3664576E-04 6 0.2352610E-04 7 0.4433356E-05 8 0.1675405E-06 9 0.1608064E-07 v, j, mj = 0 5 -5 0 0.3707903E-14 1 0.1977001E-07 2 0.2790241E-07 3 0.1225459E-07 4 0.4724711E-08 5 0.1329219E-08 6 0.2963721E-09 7 0.3525304E-09 8 0.5989508E-09 9 0.7552309E-09 v, j, mj = 0 5 -4 0 0.2358295E-09 1 0.3183825E-07 2 0.9011779E-07 3 0.2369658E-07 4 0.2414943E-07 5 0.1822857E-08 6 0.8194126E-09 7 0.7745253E-09 8 0.3753873E-09 9 0.2082712E-09 v, j, mj = 0 5 -3 0 0.5000239E-14 1 0.4233857E-06 2 0.7108378E-07 3 0.3321258E-06 4 0.2543415E-06 5 0.6856060E-08 6 0.3213638E-08 7 0.2067750E-08 8 0.8626043E-09 9 0.2525190E-09 v, j, mj = 0 5 -2 0 0.2574895E-13 1 0.2358374E-06 2 0.2108220E-06 3 0.2599006E-05 4 0.9596296E-06 5 0.3284709E-07 6 0.3273978E-08 7 0.7487772E-09 8 0.1013143E-08 9 0.2214811E-09 v, j, mj = 0 5 -1 0 0.1130498E-05 1 0.3978156E-06 2 0.8910168E-05 3 0.2011707E-04 4 0.2881773E-05 5 0.1724093E-06 6 0.5209691E-08 7 0.8909814E-08 8 0.2627175E-08 9 0.1046075E-08 v, j, mj = 0 5 0 0 0.1380315E-12 1 0.1796522E-05 2 0.7584109E-04 3 0.1086086E-03 4 0.8715365E-05 5 0.4176904E-06 6 0.1599785E-07 7 0.1148007E-07 8 0.2317982E-08 9 0.8020973E-09 v, j, mj = 0 5 1 0 0.1895382E-11 1 0.6551676E-04 2 0.4728030E-03 3 0.2317566E-03 4 0.3197220E-04 5 0.2682877E-05 6 0.1007019E-06 7 0.1084359E-07 8 0.6592618E-08 9 0.1567176E-08 v, j, mj = 0 5 2 0 0.6459499E-06 1 0.2484062E-03 2 0.1413005E-02 3 0.4144145E-03 4 0.1268191E-03 5 0.1700879E-04 6 0.1063126E-05 7 0.8734563E-07 8 0.8117831E-08 9 0.1714990E-08 v, j, mj = 0 5 3 0 0.3228059E-12 1 0.1222751E-02 2 0.4032107E-03 3 0.9216567E-03 4 0.4863660E-03 5 0.5807361E-04 6 0.2934434E-05 7 0.9901756E-07 8 0.1805226E-07 9 0.6692715E-08 v, j, mj = 0 5 4 0 0.6385652E-13 1 0.3304823E-02 2 0.7770968E-03 3 0.5220706E-03 4 0.3962781E-03 5 0.5978987E-04 6 0.3695914E-05 7 0.2115687E-06 8 0.4411260E-07 9 0.6551962E-08 v, j, mj = 0 5 5 0 0.9164495E-03 1 0.2303918E-03 2 0.4846182E-04 3 0.2200541E-04 4 0.4412674E-03 5 0.5315297E-03 6 0.8893476E-04 7 0.1871532E-05 8 0.4113582E-07 9 0.4834908E-08 v, j, mj = 0 7 -7 0 0.1291136E-11 1 0.7755633E-11 2 0.1377252E-10 3 0.1328568E-10 4 0.1787026E-10 5 0.1326252E-10 6 0.3686030E-10 7 0.2263361E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.7639497E-13 1 0.6631217E-11 2 0.3016092E-10 3 0.2374082E-10 4 0.8602757E-11 5 0.2364917E-10 6 0.4879916E-10 7 0.1938720E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5913282E-15 1 0.1929477E-09 2 0.3870247E-09 3 0.7246529E-10 4 0.6648279E-10 5 0.2017547E-10 6 0.7507683E-10 7 0.5451815E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2879515E-10 1 0.6755916E-09 2 0.2112241E-08 3 0.1648414E-09 4 0.3923687E-09 5 0.2861402E-09 6 0.3029430E-09 7 0.9361412E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1778780E-14 1 0.7886840E-09 2 0.2627002E-08 3 0.2063311E-08 4 0.1760457E-08 5 0.6221474E-09 6 0.5367076E-09 7 0.8525492E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8311282E-14 1 0.3120958E-07 2 0.2501575E-07 3 0.7990295E-07 4 0.1744582E-07 5 0.3369591E-08 6 0.4532282E-08 7 0.1981207E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.6947105E-07 1 0.1533776E-06 2 0.1066853E-06 3 0.9257336E-06 4 0.3703216E-06 5 0.1701405E-07 6 0.8612185E-08 7 0.1801076E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1180387E-13 1 0.5972621E-06 2 0.1572065E-04 3 0.2186255E-04 4 0.4419671E-05 5 0.2256743E-06 6 0.2604793E-07 7 0.1585805E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5209559E-12 1 0.1555521E-05 2 0.3073070E-03 3 0.3436651E-03 4 0.4349494E-04 5 0.1687220E-05 6 0.3102649E-07 7 0.1238316E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.6688852E-06 1 0.7513396E-03 2 0.4933465E-02 3 0.3205893E-02 4 0.3336307E-03 5 0.9062410E-05 6 0.1019257E-06 7 0.2042110E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1624619E-11 1 0.6675615E-02 2 0.4090270E-01 3 0.1666016E-01 4 0.1378673E-02 5 0.3505361E-04 6 0.3163330E-06 7 0.1612142E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1638224E-13 1 0.3515040E-01 2 0.1437323E+00 3 0.3308351E-01 4 0.2376589E-02 5 0.1003924E-03 6 0.1332398E-05 7 0.1967825E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1483570E+00 1 0.4333199E-01 2 0.7724882E-01 3 0.8683857E-02 4 0.6057972E-02 5 0.4041331E-03 6 0.5089679E-05 7 0.2204760E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1637764E-13 1 0.3458212E-02 2 0.7038753E-01 3 0.1100553E+00 4 0.2821440E-01 5 0.1180189E-02 6 0.7330857E-05 7 0.5150594E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1844423E-11 1 0.1650642E-02 2 0.2736386E-01 3 0.1030522E+00 4 0.5929202E-01 5 0.4590590E-02 6 0.4281374E-04 7 0.5203373E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2860860E-15 1 0.7665115E-13 2 0.4850684E-12 3 0.1369449E-11 4 0.2244724E-11 5 0.1199474E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.3161548E-16 1 0.4703864E-12 2 0.1355161E-11 3 0.1623166E-11 4 0.3100354E-11 5 0.3939816E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3973571E-13 1 0.1108600E-12 2 0.3067219E-12 3 0.5000124E-12 4 0.1855137E-11 5 0.3689058E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4956281E-16 1 0.4831311E-12 2 0.1499866E-11 3 0.1928309E-11 4 0.1221799E-11 5 0.4625328E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.7741172E-17 1 0.2415036E-11 2 0.7904550E-11 3 0.1711290E-11 4 0.6124649E-11 5 0.6339304E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.5675375E-12 1 0.3346880E-10 2 0.1463517E-10 3 0.2982820E-10 4 0.8961265E-10 5 0.3588116E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.4197810E-17 1 0.8028208E-10 2 0.1192761E-09 3 0.4359254E-09 4 0.3310516E-09 5 0.1322374E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.7557795E-17 1 0.1713636E-09 2 0.9989404E-09 3 0.1001712E-08 4 0.1231670E-08 5 0.1995960E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1378919E-09 1 0.2785981E-08 2 0.1999138E-08 3 0.1962028E-08 4 0.2992586E-08 5 0.2757644E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.5630648E-17 1 0.8989523E-09 2 0.2097023E-08 3 0.7469408E-08 4 0.2187656E-07 5 0.5688672E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.9541636E-16 1 0.1454778E-07 2 0.1981123E-07 3 0.8246311E-07 4 0.3458416E-07 5 0.2472941E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1830128E-09 1 0.3791357E-07 2 0.5265855E-06 3 0.2265866E-06 4 0.1870395E-06 5 0.4550754E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.4341167E-15 1 0.2836322E-06 2 0.1537224E-05 3 0.1586204E-06 4 0.1530009E-06 5 0.1008843E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2639229E-16 1 0.1401465E-05 2 0.1320951E-05 3 0.1420839E-06 4 0.1610637E-07 5 0.2799539E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3196269E-04 1 0.2829138E-04 2 0.5458644E-05 3 0.7209176E-06 4 0.1783861E-06 5 0.4796433E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.3275627E-16 1 0.1148384E-04 2 0.2377250E-05 3 0.5189113E-06 4 0.2436624E-06 5 0.6491009E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.9533449E-15 1 0.1330653E-06 2 0.1674924E-06 3 0.1890037E-06 4 0.2415450E-06 5 0.1971267E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.7416687E-09 1 0.6643014E-07 2 0.6839687E-06 3 0.3957470E-06 4 0.4733574E-07 5 0.1321979E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.9117890E-15 1 0.4590012E-06 2 0.4161938E-06 3 0.2054816E-06 4 0.3545237E-06 5 0.8200344E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.5827242E-08 1 0.5710561E-08 2 0.4868034E-08 3 0.1788680E-08 4 0.5652370E-08 5 0.1471208E-07 6 0.6784605E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1322014E-14 1 0.2134466E-07 2 0.4569192E-07 3 0.1698850E-07 4 0.1086557E-07 5 0.7858512E-08 6 0.6446100E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.9542826E-15 1 0.1573934E-07 2 0.9984171E-07 3 0.1120873E-06 4 0.9452192E-07 5 0.5057549E-07 6 0.1966480E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1444330E-15 1 0.4768972E-10 2 0.1276923E-09 3 0.1656716E-09 4 0.3909060E-09 5 0.3804944E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1412339E-15 1 0.4735605E-09 2 0.3426884E-09 3 0.4951951E-09 4 0.6542276E-09 5 0.4773880E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.3444273E-08 1 0.7551900E-08 2 0.8764495E-09 3 0.1709716E-08 4 0.1155118E-08 5 0.3052082E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.9702329E-15 1 0.2930293E-08 2 0.1547844E-07 3 0.1988585E-07 4 0.5481443E-08 5 0.7312573E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.3708384E-14 1 0.1326525E-06 2 0.3725926E-07 3 0.6017531E-08 4 0.8896740E-08 5 0.1663623E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2725240E-08 1 0.5618783E-06 2 0.4002342E-06 3 0.8580042E-07 4 0.3034356E-07 5 0.6821232E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.2007690E-13 1 0.3231858E-05 2 0.3666208E-05 3 0.4915732E-06 4 0.5379381E-07 5 0.1068440E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.8613046E-17 1 0.6480078E-13 2 0.6219555E-12 3 0.7907648E-13 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 0.4397596E-14 1 0.3749346E-12 2 0.1053987E-11 3 0.3899624E-13 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 0.2609249E-16 1 0.5101164E-11 2 0.2364202E-10 3 0.1104083E-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 -2 0 0.2050398E-17 1 0.8001615E-09 2 0.9591149E-09 3 0.2928555E-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 0.5837172E-09 1 0.8094177E-08 2 0.1857250E-09 3 0.9679877E-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 0 0 0.1086378E-17 1 0.5496458E-09 2 0.8148397E-09 3 0.2782421E-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 0.9786579E-17 1 0.3452072E-07 2 0.1801499E-08 3 0.2034960E-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 0.2143080E-09 1 0.2840188E-08 2 0.1436954E-08 3 0.7168083E-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 3 0 0.9146090E-17 1 0.7062544E-08 2 0.4141784E-07 3 0.1961131E-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 0.6420422E-17 1 0.1190011E-06 2 0.2002761E-07 3 0.5886893E-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 5 0 0.7689309E-07 1 0.1384803E-06 2 0.5755902E-07 3 0.3208560E-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 = 0.9982081 average vibrational energy (ev) = 0.000005 average rotational energy (ev) = 0.386685 average diffraction energy (ev) = 0.040305 the reaction probability = 0.1791913D-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 0.9995293E+00 0.4838361E-01 0.3840547E+00 1 0.2533750E-03 0.3071887E-01 0.1006604E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7492412E-04 0 26 1 0 0.1548846E-03 0 31 1 1 0.2662845E-03 0 13 3 -3 0.3042872E-04 0 17 3 -2 0.5499028E-04 0 22 3 -1 0.1284589E-03 0 27 3 0 0.7467097E-04 0 32 3 1 0.2945790E-03 0 36 3 2 0.1227863E-02 0 40 3 3 0.6310010E-03 0 7 5 -5 0.4636107E-05 0 10 5 -4 0.3613357E-05 0 14 5 -3 0.8964312E-05 0 18 5 -2 0.3402026E-04 0 23 5 -1 0.1865874E-03 0 28 5 0 0.7915016E-03 0 33 5 1 0.2264742E-02 0 37 5 2 0.3537837E-02 0 41 5 3 0.5003093E-02 0 44 5 4 0.7916440E-02 0 47 5 5 0.5749152E-02 0 3 7 -7 0.1580548E-07 0 5 7 -6 0.1509824E-07 0 8 7 -5 0.1472994E-07 0 11 7 -4 0.3769569E-07 0 15 7 -3 0.1144126E-06 0 19 7 -2 0.1519060E-05 0 24 7 -1 0.1599452E-04 0 29 7 0 0.2704327E-03 0 34 7 1 0.3062555E-02 0 38 7 2 0.2493948E-01 0 42 7 3 0.1051143E+00 0 45 7 4 0.1628308E+00 0 48 7 5 0.2355208E+00 0 50 7 6 0.1507469E+00 0 52 7 7 0.2881375E+00 0 1 9 -9 0.1334516E-10 0 2 9 -8 0.1468240E-10 0 4 9 -7 0.2925508E-10 0 6 9 -6 0.3663687E-10 0 9 9 -5 0.1059751E-09 0 12 9 -4 0.6144635E-09 0 16 9 -3 0.2798867E-08 0 20 9 -2 0.6983966E-08 0 25 9 -1 0.2436851E-07 0 30 9 0 0.1273392E-06 0 35 9 1 0.8493397E-06 0 39 9 2 0.6546561E-05 0 43 9 3 0.1470868E-04 0 46 9 4 0.4251018E-04 0 49 9 5 0.2938974E-03 0 51 9 6 0.7548311E-04 0 53 9 7 0.1287614E-04 0 54 9 8 0.1562621E-05 0 55 9 9 0.1545431E-05 1 21 1 -1 0.5729630E-07 1 26 1 0 0.4529240E-06 1 31 1 1 0.2656180E-05 1 13 3 -3 0.3003022E-08 1 17 3 -2 0.6835929E-08 1 22 3 -1 0.5138295E-07 1 27 3 0 0.1679163E-06 1 32 3 1 0.1384556E-05 1 36 3 2 0.2707611E-04 1 40 3 3 0.1906853E-03 1 7 5 -5 0.3235874E-10 1 10 5 -4 0.3019477E-10 1 14 5 -3 0.1135584E-09 1 18 5 -2 0.1929072E-08 1 23 5 -1 0.4156700E-08 1 28 5 0 0.1464200E-08 1 33 5 1 0.4265031E-07 1 37 5 2 0.8080558E-07 1 41 5 3 0.3189429E-06 1 44 5 4 0.2276334E-05 1 47 5 5 0.2810703E-04 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 0.4643234E-05 1 0.1242489E-05 2 0.9901476E-05 3 0.1876113E-04 4 0.1612203E-04 5 0.1568256E-04 6 0.6714130E-05 7 0.1700337E-05 8 0.1521059E-06 9 0.4637393E-08 v, j, mj = 0 1 0 0 0.2295582E-12 1 0.4338864E-05 2 0.1446468E-04 3 0.6917699E-04 4 0.4639509E-04 5 0.1575167E-04 6 0.3912455E-05 7 0.7820629E-06 8 0.5930324E-07 9 0.3522742E-08 v, j, mj = 0 1 1 0 0.2483481E-12 1 0.1316916E-04 2 0.6043761E-04 3 0.3540396E-04 4 0.4845843E-04 5 0.5893304E-04 6 0.3573759E-04 7 0.1216019E-04 8 0.1935826E-05 9 0.4872513E-07 v, j, mj = 0 3 -3 0 0.3665053E-13 1 0.2251166E-05 2 0.4179404E-05 3 0.6896842E-05 4 0.9436089E-05 5 0.5272811E-05 6 0.2024830E-05 7 0.3497825E-06 8 0.1419072E-07 9 0.3599976E-08 v, j, mj = 0 3 -2 0 0.2416839E-12 1 0.1835919E-05 2 0.6641516E-05 3 0.2892257E-04 4 0.1363404E-04 5 0.3421986E-05 6 0.4813399E-06 7 0.4413192E-07 8 0.6044031E-08 9 0.2742276E-08 v, j, mj = 0 3 -1 0 0.6853496E-05 1 0.4557225E-05 2 0.1754244E-04 3 0.7721634E-04 4 0.1929437E-04 5 0.2390410E-05 6 0.4679237E-06 7 0.1188326E-06 8 0.1627282E-07 9 0.1615273E-08 v, j, mj = 0 3 0 0 0.2935652E-12 1 0.1562018E-06 2 0.3638999E-04 3 0.2999765E-04 4 0.2812756E-05 5 0.3098941E-05 6 0.1709592E-05 7 0.4787530E-06 8 0.2402137E-07 9 0.3065553E-08 v, j, mj = 0 3 1 0 0.2492836E-12 1 0.1515025E-04 2 0.7952304E-04 3 0.1250634E-03 4 0.4797307E-04 5 0.1874194E-04 6 0.6454853E-05 7 0.1519696E-05 8 0.1493814E-06 9 0.3302400E-08 v, j, mj = 0 3 2 0 0.3431137E-06 1 0.1095257E-03 2 0.7649271E-03 3 0.1750632E-03 4 0.7734360E-04 5 0.5951097E-04 6 0.3615368E-04 7 0.4879772E-05 8 0.1103265E-06 9 0.5580470E-08 v, j, mj = 0 3 3 0 0.8461395E-12 1 0.1081766E-03 2 0.1930885E-04 3 0.5082848E-04 4 0.5150577E-04 5 0.1667484E-03 6 0.1779164E-03 7 0.5367758E-04 8 0.2791889E-05 9 0.4708796E-07 v, j, mj = 0 5 -5 0 0.2522497E-14 1 0.6141218E-06 2 0.8252390E-06 3 0.1291911E-05 4 0.1163714E-05 5 0.6012686E-06 6 0.1318186E-06 7 0.6969734E-08 8 0.4633728E-09 9 0.6017102E-09 v, j, mj = 0 5 -4 0 0.2462406E-08 1 0.4572312E-06 2 0.6721605E-06 3 0.1294839E-05 4 0.8725998E-06 5 0.2718352E-06 6 0.3860956E-07 7 0.2886748E-08 8 0.3208031E-09 9 0.4120373E-09 v, j, mj = 0 5 -3 0 0.8133272E-14 1 0.1639306E-05 2 0.8774374E-06 3 0.3660998E-05 4 0.2690356E-05 5 0.8022805E-07 6 0.1037638E-07 7 0.3927956E-08 8 0.1438915E-08 9 0.2443092E-09 v, j, mj = 0 5 -2 0 0.6904532E-13 1 0.2013477E-05 2 0.3564560E-05 3 0.2242631E-04 4 0.5953339E-05 5 0.4633448E-07 6 0.1264724E-07 7 0.1919343E-08 8 0.1307487E-08 9 0.3693814E-09 v, j, mj = 0 5 -1 0 0.9745005E-05 1 0.2741712E-05 2 0.5154215E-04 3 0.1138354E-03 4 0.8400001E-05 5 0.2967743E-06 6 0.1151939E-07 7 0.1085509E-07 8 0.2672076E-08 9 0.1279151E-08 v, j, mj = 0 5 0 0 0.4883815E-12 1 0.8311767E-05 2 0.3842233E-03 3 0.3891701E-03 4 0.9146885E-05 5 0.5724223E-06 6 0.5787317E-07 7 0.1211567E-07 8 0.4706268E-08 9 0.2409925E-08 v, j, mj = 0 5 1 0 0.6527664E-11 1 0.2286673E-03 2 0.1557971E-02 3 0.4248465E-03 4 0.4682234E-04 5 0.5871898E-05 6 0.5152910E-06 7 0.3685751E-07 8 0.6874457E-08 9 0.3582992E-08 v, j, mj = 0 5 2 0 0.1764593E-05 1 0.6415251E-03 2 0.2135992E-02 3 0.4507389E-03 4 0.2358372E-03 5 0.6439759E-04 6 0.7151171E-05 7 0.4158805E-06 8 0.9699711E-08 9 0.4480281E-08 v, j, mj = 0 5 3 0 0.6813520E-12 1 0.1315221E-02 2 0.1670525E-02 3 0.8835435E-03 4 0.8857731E-03 5 0.2221580E-03 6 0.2475014E-04 7 0.1090778E-05 8 0.1814420E-07 9 0.1364843E-07 v, j, mj = 0 5 4 0 0.2442602E-12 1 0.4912499E-02 2 0.1560022E-02 3 0.6359992E-03 4 0.4264321E-03 5 0.3137608E-03 6 0.6432677E-04 7 0.3302182E-05 8 0.8537312E-07 9 0.1225044E-07 v, j, mj = 0 5 5 0 0.1802568E-02 1 0.1352675E-03 2 0.1109061E-03 3 0.1024772E-03 4 0.9996573E-03 5 0.1944588E-02 6 0.6219542E-03 7 0.3147114E-04 8 0.2490121E-06 9 0.1313201E-07 v, j, mj = 0 7 -7 0 0.6926020E-09 1 0.8698436E-09 2 0.3029662E-08 3 0.5525783E-08 4 0.4748695E-08 5 0.8053812E-09 6 0.2518596E-10 7 0.5709339E-10 8 0.5122903E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1659550E-12 1 0.6836636E-09 2 0.4599460E-08 3 0.5512295E-08 4 0.3766444E-08 5 0.3589465E-09 6 0.5896786E-10 7 0.9284032E-10 8 0.2546087E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3020548E-14 1 0.4347052E-08 2 0.8771377E-08 3 0.4507031E-09 4 0.5947377E-09 5 0.2139983E-09 6 0.1655535E-09 7 0.1184666E-09 8 0.6804807E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2206367E-09 1 0.1116193E-07 2 0.1764588E-07 3 0.4718450E-08 4 0.2125351E-08 5 0.9546212E-09 6 0.5042294E-09 7 0.2932396E-09 8 0.7135631E-10 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8084684E-14 1 0.1575660E-07 2 0.2042604E-07 3 0.5146236E-07 4 0.2252856E-07 5 0.2819083E-08 6 0.9244284E-09 7 0.3539534E-09 8 0.1415964E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2549092E-13 1 0.1350446E-06 2 0.1852985E-06 3 0.9669524E-06 4 0.2211024E-06 5 0.4420275E-08 6 0.4456350E-08 7 0.1447227E-08 8 0.3380335E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2596404E-07 1 0.3477199E-06 2 0.2074556E-05 3 0.1093693E-04 4 0.2518899E-05 5 0.7381911E-07 6 0.1101248E-07 7 0.5025232E-08 8 0.6007117E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1028852E-12 1 0.2542285E-05 2 0.1011804E-03 3 0.1431206E-03 4 0.2267031E-04 5 0.8785939E-06 6 0.2981274E-07 7 0.1004025E-07 8 0.6342566E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4564361E-11 1 0.6475101E-05 2 0.1600858E-02 3 0.1297499E-02 4 0.1514106E-03 5 0.6217846E-05 6 0.8001975E-07 7 0.1314995E-07 8 0.1351704E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1918954E-05 1 0.2678233E-02 2 0.1426065E-01 3 0.7287683E-02 4 0.6830687E-03 5 0.2743515E-04 6 0.4621398E-06 7 0.2993301E-07 8 0.1995245E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.9747694E-11 1 0.1854536E-01 2 0.6373584E-01 3 0.2104473E-01 4 0.1686827E-02 5 0.9916188E-04 6 0.2336368E-05 7 0.4349075E-07 8 0.4516989E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5366787E-13 1 0.2056945E-01 2 0.1207909E+00 3 0.1767250E-01 4 0.3335597E-02 5 0.4520265E-03 6 0.1030665E-04 7 0.7370704E-07 8 0.3572801E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1372767E+00 1 0.2402602E-01 2 0.2953380E-01 3 0.2491621E-01 4 0.1809413E-01 5 0.1638401E-02 6 0.3545245E-04 7 0.1072039E-06 8 0.5866926E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6869027E-14 1 0.1163290E-01 2 0.5888224E-01 3 0.5938158E-01 4 0.1792662E-01 5 0.2859942E-02 6 0.6335187E-04 7 0.2504053E-06 8 0.4249762E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1411719E-10 1 0.4044322E-02 2 0.3540521E-01 3 0.1091943E+00 4 0.1161805E+00 5 0.2271530E-01 6 0.5961442E-03 7 0.1667004E-05 8 0.1189660E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.9840309E-15 1 0.3880344E-12 2 0.5237224E-12 3 0.2294383E-11 4 0.4359725E-11 5 0.5778314E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2122931E-14 1 0.2250586E-12 2 0.1643456E-11 3 0.3460142E-11 4 0.2351025E-11 5 0.7000593E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1037459E-11 1 0.4639079E-12 2 0.1774130E-11 3 0.2961459E-11 4 0.6923799E-11 5 0.1609432E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1058809E-14 1 0.4235655E-11 2 0.1676986E-10 3 0.6338069E-11 4 0.3489560E-11 5 0.5802663E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.6769444E-16 1 0.9976466E-11 2 0.3029262E-10 3 0.2097670E-10 4 0.3562695E-10 5 0.9102249E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.3468954E-11 1 0.1362196E-09 2 0.1392886E-09 3 0.1237453E-09 4 0.1581825E-09 5 0.5355858E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1378994E-15 1 0.4740396E-09 2 0.6533181E-09 3 0.8887830E-09 4 0.3672017E-09 5 0.4155247E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3526906E-16 1 0.7037741E-09 2 0.1367495E-08 3 0.2647780E-08 4 0.1442969E-08 5 0.8219478E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9846500E-09 1 0.7697367E-09 2 0.1043306E-07 3 0.2578174E-08 4 0.5600393E-08 5 0.4002496E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.7619364E-16 1 0.6479802E-08 2 0.3569530E-07 3 0.3474024E-07 4 0.3709129E-07 5 0.1333257E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2255757E-14 1 0.1764363E-07 2 0.3717604E-06 3 0.3690619E-06 4 0.8456173E-07 5 0.6312059E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.7005364E-09 1 0.5862437E-06 2 0.4406653E-05 3 0.1389337E-05 4 0.9470341E-07 5 0.6892410E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1123289E-13 1 0.2146002E-05 2 0.1148312E-04 3 0.8642115E-06 4 0.1897402E-06 5 0.2560648E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4478291E-15 1 0.2357992E-04 2 0.1720266E-04 3 0.1533863E-05 4 0.1453857E-06 5 0.4835257E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1170625E-03 1 0.1333228E-03 2 0.3821694E-04 3 0.4942288E-05 4 0.2578059E-06 5 0.9513537E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1627918E-14 1 0.6149740E-04 2 0.1262066E-04 3 0.1004258E-05 4 0.3279651E-06 5 0.3282721E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2774456E-13 1 0.1036834E-04 2 0.1702230E-05 3 0.4170667E-06 4 0.3309951E-06 5 0.5750894E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1357151E-07 1 0.3865561E-06 2 0.5430969E-06 3 0.1807921E-06 4 0.2558061E-06 5 0.1827978E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1260644E-12 1 0.3488114E-07 2 0.3524926E-06 3 0.4387493E-06 4 0.3792615E-06 5 0.3400459E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2975834E-08 1 0.5781620E-09 2 0.1037605E-07 3 0.7753126E-08 4 0.9986928E-08 5 0.1882214E-07 6 0.6804065E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1779714E-15 1 0.2792392E-07 2 0.1725772E-06 3 0.2201904E-06 4 0.2610211E-07 5 0.4132007E-08 6 0.1998341E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1834429E-13 1 0.4875715E-07 2 0.1302693E-05 3 0.8013238E-06 4 0.3573475E-06 5 0.1401713E-06 6 0.5887580E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.9385855E-15 1 0.3473290E-09 2 0.9328462E-09 3 0.4224492E-09 4 0.4015800E-09 5 0.7704223E-09 6 0.1283946E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2418284E-15 1 0.3304434E-08 2 0.1286510E-08 3 0.7089236E-09 4 0.7901347E-09 5 0.7238510E-09 6 0.2207544E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1542775E-07 1 0.5018497E-08 2 0.1701924E-07 3 0.1063560E-07 4 0.1319945E-08 5 0.1927221E-08 6 0.3468941E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.2471895E-14 1 0.3056644E-08 2 0.7453109E-07 3 0.7703451E-07 4 0.7784857E-08 5 0.5256180E-08 6 0.2530334E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1193349E-12 1 0.2571843E-06 2 0.6249879E-06 3 0.4327350E-06 4 0.6208532E-07 5 0.7232955E-08 6 0.3306682E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2217381E-07 1 0.5633465E-05 2 0.1495729E-04 3 0.6045983E-05 4 0.4024362E-06 5 0.1357280E-07 6 0.1187397E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.4943970E-13 1 0.2371988E-04 2 0.1261612E-03 3 0.3909965E-04 4 0.1647482E-05 5 0.5615493E-07 6 0.8814138E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4585822E-17 1 0.3809616E-12 2 0.6384324E-11 3 0.1952227E-10 4 0.6071182E-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 5 -4 0 0.3305840E-12 1 0.2941877E-11 2 0.3159068E-11 3 0.2134037E-10 4 0.2422875E-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 5 -3 0 0.2103287E-16 1 0.1537731E-10 2 0.3446248E-10 3 0.6021515E-10 4 0.3503414E-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 5 -2 0 0.3593134E-17 1 0.2156851E-09 2 0.1105295E-08 3 0.5899221E-09 4 0.1816954E-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 -1 0 0.1078505E-09 1 0.1857941E-08 2 0.1228350E-08 3 0.8958111E-09 4 0.6674653E-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 0 0 0.5355351E-16 1 0.2237912E-09 2 0.5784984E-09 3 0.4559975E-09 4 0.2059127E-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 0.1228792E-14 1 0.2319476E-07 2 0.1529242E-07 3 0.3768276E-08 4 0.3948567E-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 0.4320009E-08 1 0.1796988E-07 2 0.3397515E-07 3 0.2273178E-07 4 0.1808759E-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 0.3046106E-15 1 0.1661374E-06 2 0.6959440E-07 3 0.8243315E-07 4 0.7779503E-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 4 0 0.2219613E-16 1 0.1469277E-05 2 0.7081240E-06 3 0.9646251E-07 4 0.2471070E-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 0.7561915E-05 1 0.1726426E-04 2 0.3210968E-05 3 0.6575376E-07 4 0.4127190E-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 = 0.9997827 average vibrational energy (ev) = 0.000129 average rotational energy (ev) = 0.383983 average diffraction energy (ev) = 0.048379 the reaction probability = 0.2173196D-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 0.9822720E+00 0.5374205E-01 0.3790530E+00 1 0.1568382E-01 0.1264666E-01 0.2046715E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3754931E-03 0 26 1 0 0.5251878E-03 0 31 1 1 0.7765760E-03 0 13 3 -3 0.1107751E-03 0 17 3 -2 0.1702307E-03 0 22 3 -1 0.3852996E-03 0 27 3 0 0.1619311E-03 0 32 3 1 0.9467256E-03 0 36 3 2 0.2935800E-02 0 40 3 3 0.2041675E-02 0 7 5 -5 0.4643037E-04 0 10 5 -4 0.2177433E-04 0 14 5 -3 0.6790478E-04 0 18 5 -2 0.1821396E-03 0 23 5 -1 0.7173119E-03 0 28 5 0 0.2206116E-02 0 33 5 1 0.4092867E-02 0 37 5 2 0.3388137E-02 0 41 5 3 0.1020305E-01 0 44 5 4 0.1208533E-01 0 47 5 5 0.1149809E-01 0 3 7 -7 0.1176428E-05 0 5 7 -6 0.6452106E-06 0 8 7 -5 0.1435280E-06 0 11 7 -4 0.4666437E-06 0 15 7 -3 0.1862924E-05 0 19 7 -2 0.1369194E-04 0 24 7 -1 0.1212280E-03 0 29 7 0 0.1265937E-02 0 34 7 1 0.9758824E-02 0 38 7 2 0.4928385E-01 0 42 7 3 0.1181855E+00 0 45 7 4 0.9186332E-01 0 48 7 5 0.2276877E+00 0 50 7 6 0.1393778E+00 0 52 7 7 0.2900129E+00 0 1 9 -9 0.5767892E-10 0 2 9 -8 0.6105092E-10 0 4 9 -7 0.8824990E-10 0 6 9 -6 0.1421272E-09 0 9 9 -5 0.2754093E-09 0 12 9 -4 0.2255214E-08 0 16 9 -3 0.6921682E-08 0 20 9 -2 0.2161541E-07 0 25 9 -1 0.8623335E-07 0 30 9 0 0.1107431E-05 0 35 9 1 0.8758619E-05 0 39 9 2 0.3787952E-04 0 43 9 3 0.5383789E-04 0 46 9 4 0.3518743E-03 0 49 9 5 0.8319776E-03 0 51 9 6 0.3857690E-03 0 53 9 7 0.6997188E-04 0 54 9 8 0.1260351E-04 0 55 9 9 0.4317594E-05 1 21 1 -1 0.5615318E-05 1 26 1 0 0.2773858E-05 1 31 1 1 0.2473279E-04 1 13 3 -3 0.1890280E-06 1 17 3 -2 0.1997179E-06 1 22 3 -1 0.7884726E-06 1 27 3 0 0.3652525E-05 1 32 3 1 0.3403900E-04 1 36 3 2 0.2119333E-03 1 40 3 3 0.6773773E-03 1 7 5 -5 0.1450808E-09 1 10 5 -4 0.1878826E-09 1 14 5 -3 0.9597178E-09 1 18 5 -2 0.2289287E-08 1 23 5 -1 0.7737459E-08 1 28 5 0 0.3182157E-07 1 33 5 1 0.2701021E-06 1 37 5 2 0.2699671E-05 1 41 5 3 0.2128261E-04 1 44 5 4 0.5048144E-03 1 47 5 5 0.1419341E-01 1 3 7 -7 0.8003250E-14 1 5 7 -6 0.6517669E-17 1 8 7 -5 0.4525474E-18 1 11 7 -4 0.3758454E-13 1 15 7 -3 0.9654551E-17 1 19 7 -2 0.3210698E-19 1 24 7 -1 0.4674313E-12 1 29 7 0 0.1243385E-17 1 34 7 1 0.1477657E-18 1 38 7 2 0.4605933E-11 1 42 7 3 0.4551787E-17 1 45 7 4 0.1742777E-19 1 48 7 5 0.4192994E-09 1 50 7 6 0.2255172E-17 1 52 7 7 0.2843668E-16 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 0.2772801E-04 1 0.1623304E-04 2 0.4711188E-04 3 0.5242025E-04 4 0.5510675E-04 5 0.8216075E-04 6 0.6678352E-04 7 0.2441705E-04 8 0.3451472E-05 9 0.8036594E-07 v, j, mj = 0 1 0 0 0.5151738E-11 1 0.1005984E-04 2 0.6393260E-04 3 0.1788884E-03 4 0.1704739E-03 5 0.6477712E-04 6 0.2795218E-04 7 0.8224725E-05 8 0.8606577E-06 9 0.1836590E-07 v, j, mj = 0 1 1 0 0.1756329E-10 1 0.1934429E-04 2 0.4480352E-04 3 0.1279767E-03 4 0.5682328E-04 5 0.1888310E-03 6 0.2143237E-03 7 0.1017588E-03 8 0.2181686E-04 9 0.8978571E-06 v, j, mj = 0 3 -3 0 0.9133518E-11 1 0.1263440E-04 2 0.1066399E-04 3 0.1555280E-04 4 0.2625537E-04 5 0.2731539E-04 6 0.1431944E-04 7 0.3756976E-05 8 0.2697824E-06 9 0.6975557E-08 v, j, mj = 0 3 -2 0 0.3899703E-11 1 0.4604395E-05 2 0.1889594E-04 3 0.6017546E-04 4 0.5852200E-04 5 0.2233834E-04 6 0.4774918E-05 7 0.8604968E-06 8 0.5792939E-07 9 0.1181779E-08 v, j, mj = 0 3 -1 0 0.1864391E-04 1 0.2346172E-04 2 0.3881299E-04 3 0.1647608E-03 4 0.9830378E-04 5 0.3217833E-04 6 0.7049919E-05 7 0.1796711E-05 8 0.2888382E-06 9 0.2626692E-08 v, j, mj = 0 3 0 0 0.2716248E-11 1 0.6191665E-05 2 0.2894156E-04 3 0.6865534E-04 4 0.2462859E-04 5 0.1680822E-04 6 0.1204912E-04 7 0.4209554E-05 8 0.4387574E-06 9 0.8324923E-08 v, j, mj = 0 3 1 0 0.1120619E-10 1 0.2168062E-04 2 0.1647862E-03 3 0.3022404E-03 4 0.2407325E-03 5 0.1384197E-03 6 0.5936445E-04 7 0.1723903E-04 8 0.2198662E-05 9 0.6398755E-07 v, j, mj = 0 3 2 0 0.5682832E-06 1 0.1911967E-03 2 0.1082788E-02 3 0.8628386E-03 4 0.3785251E-03 5 0.1682172E-03 6 0.1887097E-03 7 0.5961296E-04 8 0.3323381E-05 9 0.2017067E-07 v, j, mj = 0 3 3 0 0.1523987E-10 1 0.1082376E-03 2 0.7172888E-04 3 0.2070579E-03 4 0.6337228E-04 5 0.4558919E-03 6 0.7291247E-03 7 0.3676927E-03 8 0.3806157E-04 9 0.5075914E-06 v, j, mj = 0 5 -5 0 0.4606997E-12 1 0.5684898E-05 2 0.5904108E-05 3 0.9308562E-05 4 0.1257808E-04 5 0.9186955E-05 6 0.3391799E-05 7 0.3686478E-06 8 0.6804549E-08 9 0.5203351E-09 v, j, mj = 0 5 -4 0 0.2398154E-07 1 0.4902529E-05 2 0.3191307E-05 3 0.5897292E-05 4 0.5232774E-05 5 0.1998207E-05 6 0.4997300E-06 7 0.2690522E-07 8 0.9301190E-09 9 0.6771311E-09 v, j, mj = 0 5 -3 0 0.6662813E-12 1 0.1538747E-04 2 0.8319249E-05 3 0.2492565E-04 4 0.1757690E-04 5 0.1436194E-05 6 0.2186070E-06 7 0.3796969E-07 8 0.2098091E-08 9 0.6341402E-09 v, j, mj = 0 5 -2 0 0.2695314E-12 1 0.9671315E-05 2 0.1826472E-04 3 0.1206647E-03 4 0.3230572E-04 5 0.1117964E-05 6 0.9516819E-07 7 0.1645627E-07 8 0.2960412E-08 9 0.6409349E-09 v, j, mj = 0 5 -1 0 0.4424858E-04 1 0.1282227E-04 2 0.1732040E-03 3 0.4571388E-03 4 0.2822133E-04 5 0.1437489E-05 6 0.1914873E-06 7 0.4293406E-07 8 0.2564741E-08 9 0.2479190E-08 v, j, mj = 0 5 0 0 0.3131586E-11 1 0.2223198E-04 2 0.1197664E-02 3 0.9730506E-03 4 0.1017163E-04 5 0.2226595E-05 6 0.5800637E-06 7 0.1735393E-06 8 0.1544399E-07 9 0.2527843E-08 v, j, mj = 0 5 1 0 0.1673579E-10 1 0.5081441E-03 2 0.3067092E-02 3 0.4192079E-03 4 0.7622538E-04 5 0.1773538E-04 6 0.3954790E-05 7 0.4894693E-06 8 0.1510971E-07 9 0.3050196E-08 v, j, mj = 0 5 2 0 0.2713011E-05 1 0.9262248E-03 2 0.1302507E-02 3 0.4786386E-03 4 0.3932969E-03 5 0.2288768E-03 6 0.5146870E-04 7 0.4348354E-05 8 0.5645416E-07 9 0.6381733E-08 v, j, mj = 0 5 3 0 0.3188961E-11 1 0.1705623E-02 2 0.4373957E-02 3 0.1596824E-02 4 0.1522114E-02 5 0.8089873E-03 6 0.1788676E-03 7 0.1637885E-04 8 0.2833326E-06 9 0.1886898E-07 v, j, mj = 0 5 4 0 0.3082077E-13 1 0.6918547E-02 2 0.1166955E-02 3 0.2149973E-02 4 0.5208146E-03 5 0.8233244E-03 6 0.4644738E-03 7 0.4043934E-04 8 0.7777644E-06 9 0.2490435E-07 v, j, mj = 0 5 5 0 0.1219941E-02 1 0.2460859E-03 2 0.8887589E-03 3 0.6034822E-03 4 0.1550296E-02 5 0.4212092E-02 6 0.2476032E-02 7 0.2965322E-03 8 0.4839395E-05 9 0.3023132E-07 v, j, mj = 0 7 -7 0 0.4612591E-07 1 0.3721837E-07 2 0.1138996E-06 3 0.3301241E-06 4 0.4397609E-06 5 0.1925660E-06 6 0.1638532E-07 7 0.2511672E-09 8 0.9697807E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3063875E-12 1 0.3803610E-08 2 0.7858814E-07 3 0.2048841E-06 4 0.2624501E-06 5 0.8860694E-07 6 0.6642354E-08 7 0.1866745E-09 8 0.4838717E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1134745E-12 1 0.2095366E-07 2 0.4232493E-07 3 0.4566119E-07 4 0.2853668E-07 5 0.4863007E-08 6 0.8265236E-09 7 0.2717153E-09 8 0.9018892E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1990512E-08 1 0.2064543E-06 2 0.5728273E-07 3 0.1365069E-06 4 0.5764581E-07 5 0.5221383E-08 6 0.1053847E-08 7 0.3598504E-09 8 0.1283469E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3643591E-13 1 0.3211214E-06 2 0.2059413E-06 3 0.9282458E-06 4 0.3900323E-06 5 0.1404522E-07 6 0.2872633E-08 7 0.4423989E-09 8 0.2230420E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3428922E-13 1 0.1865605E-06 2 0.1725407E-05 3 0.9684069E-05 4 0.2071370E-05 5 0.1559049E-07 6 0.5117018E-08 7 0.3249023E-08 8 0.5799070E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2416823E-06 1 0.9852895E-06 2 0.2165414E-04 3 0.8642644E-04 4 0.1169132E-04 5 0.2094417E-06 6 0.1320681E-07 7 0.4733786E-08 8 0.1731503E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.7144947E-12 1 0.1665987E-04 2 0.5377619E-03 3 0.6486130E-03 4 0.6096920E-04 5 0.1847591E-05 6 0.5206380E-07 7 0.2971487E-07 8 0.3246837E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2762191E-10 1 0.6885754E-04 2 0.6232376E-02 3 0.3194648E-02 4 0.2516691E-03 5 0.1091877E-04 6 0.3361684E-06 7 0.1432017E-07 8 0.4381251E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.8287691E-05 1 0.7836189E-02 2 0.3090577E-01 3 0.9845246E-02 4 0.6337070E-03 5 0.5233174E-04 6 0.2212444E-05 7 0.1056201E-06 8 0.5545120E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4393092E-10 1 0.3445919E-01 2 0.6794484E-01 3 0.1392256E-01 4 0.1546981E-02 5 0.2972887E-03 6 0.1432038E-04 7 0.3256723E-06 8 0.1270786E-07 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1441075E-12 1 0.5096706E-02 2 0.7123600E-01 3 0.5672610E-02 4 0.8360088E-02 5 0.1431950E-02 6 0.6521846E-04 7 0.7429508E-06 8 0.6395805E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1194309E+00 1 0.1316083E-01 2 0.1035674E-01 3 0.5414446E-01 4 0.2667138E-01 5 0.3756135E-02 6 0.1653055E-03 7 0.1899142E-05 8 0.2065430E-07 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4488558E-13 1 0.1282554E-01 2 0.6775855E-01 3 0.4995729E-01 4 0.3045175E-02 5 0.5341300E-02 6 0.4455205E-03 7 0.4354187E-05 8 0.2866403E-07 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.7172986E-10 1 0.9681254E-02 2 0.4935267E-01 3 0.8168565E-01 4 0.1015488E+00 5 0.4447457E-01 6 0.3240465E-02 7 0.2941918E-04 8 0.1597607E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1640532E-14 1 0.5106723E-11 2 0.8853148E-11 3 0.2345424E-10 4 0.8403736E-11 5 0.4080527E-11 6 0.7778903E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1153714E-14 1 0.1147519E-10 2 0.1031914E-10 3 0.1835229E-10 4 0.2674329E-11 5 0.9463826E-11 6 0.8764982E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3847632E-11 1 0.2629627E-11 2 0.1474658E-10 3 0.1998631E-10 4 0.9314880E-11 5 0.2325361E-10 6 0.1447126E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1099970E-13 1 0.2301983E-10 2 0.2739574E-10 3 0.6365858E-10 4 0.1048167E-10 5 0.4810994E-11 6 0.1274939E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1801882E-15 1 0.9367894E-11 2 0.4005481E-10 3 0.1103869E-09 4 0.5856756E-10 5 0.4640325E-10 6 0.1062871E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1886058E-10 1 0.2423778E-09 2 0.6352036E-09 3 0.6792917E-09 4 0.4441699E-09 5 0.1834771E-09 6 0.5183363E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1831397E-14 1 0.1292677E-08 2 0.1685424E-08 3 0.2660614E-08 4 0.7323830E-09 5 0.4555871E-09 6 0.9499530E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3226755E-15 1 0.1238359E-08 2 0.5371293E-08 3 0.9700439E-08 4 0.1912721E-08 5 0.2927104E-08 6 0.4654887E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.5918764E-08 1 0.2708488E-08 2 0.2404930E-07 3 0.3780381E-07 4 0.5366580E-08 5 0.8665925E-08 6 0.1720490E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1154182E-14 1 0.4618819E-07 2 0.4768340E-06 3 0.5046235E-06 4 0.5037424E-07 5 0.2699547E-07 6 0.2415665E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2213832E-13 1 0.7042644E-07 2 0.5334027E-05 3 0.3062601E-05 4 0.2250853E-06 5 0.5359400E-07 6 0.1288504E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1306994E-07 1 0.5300874E-05 2 0.2490987E-04 3 0.7367630E-05 4 0.1888759E-06 5 0.9311288E-07 6 0.6088238E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.7040734E-13 1 0.1258925E-04 2 0.3563263E-04 3 0.5380793E-05 4 0.1812533E-06 5 0.4619675E-07 6 0.7770643E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3931042E-14 1 0.2423974E-03 2 0.9543209E-04 3 0.1300869E-04 4 0.9545197E-06 5 0.6968970E-07 6 0.1195046E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.2589574E-03 1 0.4386453E-03 2 0.1246113E-03 3 0.9179207E-05 4 0.4849926E-06 5 0.8452634E-07 6 0.1496879E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.8095512E-14 1 0.2639843E-03 2 0.1112876E-03 3 0.9236404E-05 4 0.1098466E-05 5 0.1362418E-06 6 0.2588006E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3466847E-13 1 0.5953180E-04 2 0.2674684E-05 3 0.5119112E-05 4 0.2380261E-05 5 0.2331448E-06 6 0.3287685E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1821768E-07 1 0.2958326E-05 2 0.6609438E-05 3 0.2511393E-05 4 0.3123005E-06 5 0.1508396E-06 6 0.4299518E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3510054E-12 1 0.4306448E-06 2 0.1642416E-05 3 0.1523711E-05 4 0.4098644E-06 5 0.2592942E-06 6 0.5166395E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.3574152E-06 1 0.6244384E-06 2 0.8504690E-06 3 0.1986988E-05 4 0.1621267E-05 5 0.1652083E-06 6 0.8438781E-08 7 0.1094030E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.7905992E-13 1 0.8076347E-07 2 0.1366068E-05 3 0.1066252E-05 4 0.2348264E-06 5 0.2103008E-07 6 0.3600381E-08 7 0.1317685E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2836266E-12 1 0.1460312E-05 2 0.1314216E-04 3 0.6629624E-05 4 0.3284993E-05 5 0.2003747E-06 6 0.1155909E-07 7 0.3767513E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1210535E-12 1 0.4788564E-07 2 0.4644088E-07 3 0.7965359E-07 4 0.1319523E-07 5 0.8433081E-09 6 0.1009269E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3887788E-13 1 0.1045379E-07 2 0.6067513E-07 3 0.1157696E-06 4 0.1124039E-07 5 0.9295693E-09 6 0.6493744E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.7929018E-07 1 0.6364382E-07 2 0.1743378E-06 3 0.2412697E-06 4 0.2158836E-06 5 0.1263192E-07 6 0.1415527E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4372436E-14 1 0.9784048E-07 2 0.1954612E-05 3 0.1451957E-05 4 0.1398322E-06 5 0.3976867E-08 6 0.4305950E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.8863710E-12 1 0.2987443E-05 2 0.2127810E-04 3 0.8666595E-05 4 0.1077925E-05 5 0.2614970E-07 6 0.2785219E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1475216E-06 1 0.4059994E-04 2 0.1162472E-03 3 0.4647006E-04 4 0.8229758E-05 5 0.2223696E-06 6 0.1640066E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1210132E-11 1 0.1865013E-04 2 0.1672122E-03 3 0.4233190E-03 4 0.6716434E-04 5 0.1014470E-05 6 0.1715838E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.9523663E-14 1 0.2573582E-10 2 0.4685329E-11 3 0.2912685E-10 4 0.7959006E-10 5 0.5933206E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.7097399E-12 1 0.6859738E-11 2 0.8470505E-10 3 0.4900599E-10 4 0.3853986E-10 5 0.8062266E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.8336901E-15 1 0.3048327E-09 2 0.1227633E-09 3 0.3877490E-09 4 0.1193307E-09 5 0.2504135E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.9325819E-15 1 0.7794157E-10 2 0.8529662E-09 3 0.8230847E-09 4 0.4494079E-09 5 0.8588516E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.7661157E-09 1 0.8541664E-09 2 0.1437370E-08 3 0.2197719E-08 4 0.2178653E-08 5 0.3034338E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.3281164E-15 1 0.6447010E-08 2 0.1161758E-07 3 0.1065674E-07 4 0.2928803E-08 5 0.1714325E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1509601E-13 1 0.1405576E-07 2 0.1730871E-06 3 0.7084964E-07 4 0.1142155E-07 5 0.6880371E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.5196886E-08 1 0.5212784E-06 2 0.1888322E-05 3 0.2707420E-06 4 0.1201229E-07 5 0.2119741E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.2416129E-13 1 0.7945710E-05 2 0.1205235E-04 3 0.1261728E-05 4 0.1965450E-07 5 0.3161472E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1905587E-14 1 0.2397394E-03 2 0.2386116E-03 3 0.2622486E-04 4 0.2367868E-06 5 0.1793243E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.3285946E-02 1 0.8513257E-02 2 0.2291316E-02 3 0.1023313E-03 4 0.5542791E-06 5 0.2514058E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.8003250E-14 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 0.6517669E-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 0.4525474E-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 0.3758454E-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 -3 0 0.9654551E-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 -2 0 0.3210698E-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 -1 0 0.4674313E-12 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 0.1243385E-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 0.1477657E-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 0.4605933E-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 0.4551787E-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 4 0 0.1742777E-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 5 0 0.4192994E-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 6 0 0.2255172E-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 0.2843668E-16 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 = 0.9979559 average vibrational energy (ev) = 0.008006 average rotational energy (ev) = 0.376312 average diffraction energy (ev) = 0.053096 the reaction probability = 0.2044148D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 99898.3251 (a) ... Propagating the wavefunction 97941.6337 (b) Setup time 1744.1712 Saving the wave function for rerun 37.8194 Calculating averages 4.8662 Calculating and saving BK-coeffs 15.1287 Asymptotic analysis 3.4648 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 99747.0840 (a) ... FFTs along X and Y 4455.3931 Kinetic energy operation along Z 28197.4957 Kinetic energy operation along r 21133.7061 Potential energy multiplication 11407.3021 Legengre transforms 26213.1254 Shifting the wavefunction 2149.0339 Kinetic energy multiplications (xy) 449.2574 Absorbing the wavefunction 520.0854 Projection formalism 16.9650 Operations on specular grid 0.1720 ----------------------------------------------------- Sum 94542.5360 (b) ... Potential initialisation time 0.0000 Potential setup time 1723.9784 FFTs along X 2317.4971 FFTs along Y 2137.8960 Time spent on FGH for asympwf 0.3968 Ending date and time: Sun Aug 11 11:39:14 CEST 2019