Starting date and time: Fri Aug 9 16:40:58 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190809 at 164058.940 *** * 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: v0j7mj4-0.15eV-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: 4 * 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: 4 * 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 = 4 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.30994415E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 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 = 144 iz = 142 iz = 148 iz = 152 iz = 156 iz = 160 iz = 145 iz = 143 iz = 149 iz = 153 iz = 157 iz = 161 iz = 147 iz = 146 iz = 151 iz = 150 iz = 155 iz = 154 iz = 159 iz = 158 iz = 162 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 = 0.21095549E+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 = 221 ******************************************************************************** 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 = 11925 ******************************************************************************** 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 13.73855616 1.51910401 0.11939071E-01 0.15000000E+04 0.99999957 13.61215569 1.51911583 0.84968626E-02 0.15500000E+04 0.99999956 13.48573115 1.51912396 0.60728900E-02 0.16000000E+04 0.99999954 13.35928016 1.51912418 0.43625363E-02 0.16500000E+04 0.99999953 13.23280000 1.51912919 0.31518925E-02 0.17000000E+04 0.99999952 13.10628756 1.51913523 0.22914451E-02 0.17500000E+04 0.99999950 12.97973934 1.51914289 0.16769328E-02 0.18000000E+04 0.99999949 12.85315143 1.51915812 0.12356811E-02 0.18500000E+04 0.99999947 12.72651956 1.51918431 0.91698039E-03 0.19000000E+04 0.99999946 12.59983911 1.51921075 0.68536700E-03 0.19500000E+04 0.99999944 12.47310513 1.51922970 0.51596027E-03 0.20000000E+04 0.99999943 12.34631243 1.51925306 0.39123496E-03 0.20500000E+04 0.99999942 12.21945560 1.51928185 0.29879167E-03 0.21000000E+04 0.99999940 12.09252905 1.51931116 0.22981300E-03 0.21500000E+04 0.99999939 11.96552704 1.51934864 0.17799614E-03 0.22000000E+04 0.99999937 11.83844376 1.51939562 0.13881055E-03 0.22500000E+04 0.99999936 11.71127327 1.51944423 0.10898063E-03 0.23000000E+04 0.99999935 11.58400958 1.51948450 0.86124822E-04 0.23500000E+04 0.99999933 11.45664662 1.51952532 0.68500098E-04 0.24000000E+04 0.99999932 11.32917827 1.51957336 0.54823633E-04 0.24500000E+04 0.99999930 11.20159835 1.51962047 0.44145440E-04 0.25000000E+04 0.99999929 11.07390067 1.51967337 0.35757814E-04 0.25500000E+04 0.99999927 10.94607899 1.51973449 0.29130447E-04 0.26000000E+04 0.99999926 10.81812708 1.51979722 0.23863677E-04 0.26500000E+04 0.99999925 10.69003881 1.51985127 0.19654350E-04 0.27000000E+04 0.99999923 10.56180811 1.51990302 0.16272145E-04 0.27500000E+04 0.99999922 10.43342917 1.51996254 0.13539911E-04 0.28000000E+04 0.99999920 10.30489643 1.52002302 0.11321388E-04 0.28500000E+04 0.99999919 10.17620477 1.52008642 0.95110346E-05 0.29000000E+04 0.99999917 10.04734967 1.52015962 0.80266632E-05 0.29500000E+04 0.99999916 9.91832733 1.52023461 0.68037154E-05 0.30000000E+04 0.99999915 9.78913493 1.52030398 0.57920144E-05 0.30500000E+04 0.99999913 9.65977084 1.52036998 0.49512671E-05 0.31000000E+04 0.99999912 9.53023490 1.52044604 0.42496097E-05 0.31500000E+04 0.99999910 9.40052875 1.52052886 0.36615882E-05 0.32000000E+04 0.99999909 9.27065613 1.52061569 0.31668019E-05 0.32500000E+04 0.99999907 9.14062326 1.52071708 0.27488410E-05 0.33000000E+04 0.99999906 9.01043927 1.52082751 0.23944407E-05 0.33500000E+04 0.99999905 8.88011663 1.52094050 0.20928176E-05 0.34000000E+04 0.99999903 8.74967161 1.52105918 0.18351715E-05 0.34500000E+04 0.99999902 8.61912478 1.52119851 0.16143140E-05 0.35000000E+04 0.99999900 8.48850154 1.52136222 0.14243720E-05 0.35500000E+04 0.99999899 8.35783263 1.52154733 0.12602900E-05 0.36000000E+04 0.99999897 8.22715471 1.52176578 0.11185464E-05 0.36500000E+04 0.99999896 8.09651089 1.52202163 0.99552738E-06 0.37000000E+04 0.99999894 7.96595128 1.52230938 0.88839869E-06 0.37500000E+04 0.99999893 7.83553355 1.52263790 0.79479485E-06 0.38000000E+04 0.99999891 7.70532339 1.52302404 0.71276470E-06 0.38500000E+04 0.99999889 7.57539504 1.52348215 0.64069977E-06 0.39000000E+04 0.99999887 7.44583167 1.52401206 0.57725540E-06 0.39500000E+04 0.99999885 7.31672578 1.52462715 0.52108286E-06 0.40000000E+04 0.99999882 7.18817942 1.52534046 0.47161910E-06 0.40500000E+04 0.99999878 7.06030448 1.52614966 0.42780235E-06 0.41000000E+04 0.99999872 6.93322273 1.52706341 0.38888903E-06 0.41500000E+04 0.99999862 6.80706583 1.52809865 0.35422203E-06 0.42000000E+04 0.99999848 6.68197518 1.52926894 0.32323497E-06 0.42500000E+04 0.99999827 6.55810169 1.53057354 0.29546934E-06 0.43000000E+04 0.99999794 6.43560539 1.53201266 0.27057423E-06 0.43500000E+04 0.99999745 6.31465488 1.53359248 0.24807386E-06 0.44000000E+04 0.99999672 6.19542670 1.53530218 0.22810316E-06 0.44500000E+04 0.99999567 6.07810458 1.53713019 0.21017195E-06 0.45000000E+04 0.99999418 5.96287852 1.53907638 0.19398988E-06 0.45500000E+04 0.99999209 5.84994379 1.54113399 0.17930169E-06 0.46000000E+04 0.99998924 5.73949980 1.54328608 0.16591627E-06 0.46500000E+04 0.99998541 5.63174885 1.54550862 0.15370251E-06 0.47000000E+04 0.99998034 5.52689486 1.54778523 0.14256351E-06 0.47500000E+04 0.99997378 5.42514198 1.55008990 0.13241374E-06 0.48000000E+04 0.99996540 5.32669320 1.55239016 0.12317288E-06 0.48500000E+04 0.99995489 5.23174898 1.55466376 0.11476856E-06 0.49000000E+04 0.99994191 5.14050579 1.55688844 0.10713292E-06 0.49500000E+04 0.99992613 5.05315474 1.55903400 0.99986711E-07 0.50000000E+04 0.99990725 4.96988022 1.56106686 0.93660342E-07 0.50500000E+04 0.99988498 4.89085855 1.56295981 0.87853433E-07 0.51000000E+04 0.99985910 4.81625681 1.56469015 0.82479011E-07 0.51500000E+04 0.99982946 4.74623155 1.56623332 0.77472694E-07 0.52000000E+04 0.99979598 4.68092772 1.56757761 0.72798912E-07 0.52500000E+04 0.99975867 4.62047762 1.56872104 0.68442777E-07 0.53000000E+04 0.99971765 4.56499996 1.56965953 0.64397963E-07 0.53500000E+04 0.99967313 4.51459921 1.57038734 0.60656240E-07 0.54000000E+04 0.99962539 4.46936508 1.57089961 0.57205018E-07 0.54500000E+04 0.99957482 4.42937233 1.57119401 0.54026518E-07 0.55000000E+04 0.99952186 4.39468080 1.57126489 0.51093622E-07 0.55500000E+04 0.99946700 4.36533560 1.57111138 0.48198134E-07 0.56000000E+04 0.99941075 4.34136731 1.57074362 0.45677532E-07 0.56500000E+04 0.99935363 4.32279227 1.57017727 0.43313321E-07 0.57000000E+04 0.99929614 4.30961267 1.56943315 0.41101564E-07 0.57500000E+04 0.99923878 4.30181674 1.56853785 0.39013368E-07 0.58000000E+04 0.99918199 4.29937887 1.56751915 0.37053912E-07 0.58500000E+04 0.99912620 4.30225986 1.56639740 0.35249686E-07 0.59000000E+04 0.99907179 4.31040748 1.56518194 0.33564078E-07 0.59500000E+04 0.99901915 4.32375714 1.56387663 0.32029627E-07 0.60000000E+04 0.99896859 4.34223289 1.56248122 0.30635492E-07 0.60500000E+04 0.99892045 4.36574844 1.56099726 0.29197998E-07 0.61000000E+04 0.99887501 4.39420812 1.55943769 0.27856354E-07 0.61500000E+04 0.99883253 4.42750776 1.55782978 0.26779956E-07 0.62000000E+04 0.99879323 4.46553540 1.55620886 0.25497977E-07 0.62500000E+04 0.99875725 4.50817194 1.55460575 0.23960165E-07 0.63000000E+04 0.99872469 4.55529197 1.55303747 0.23217124E-07 0.63500000E+04 0.99869556 4.60676464 1.55150161 0.22241604E-07 0.64000000E+04 0.99866982 4.66245483 1.54998003 0.20582222E-07 0.64500000E+04 0.99864732 4.72222420 1.54845460 0.20238457E-07 0.65000000E+04 0.99862786 4.78593208 1.54692317 0.20704695E-07 0.65500000E+04 0.99861121 4.85343601 1.54540583 0.19013868E-07 0.66000000E+04 0.99859705 4.92459197 1.54393722 0.17816669E-07 0.66500000E+04 0.99858510 4.99925451 1.54254909 0.20917432E-07 0.67000000E+04 0.99857504 5.07727694 1.54125296 0.23053722E-07 0.67500000E+04 0.99856658 5.15851183 1.54003235 0.20994601E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.68000000E+04 0.99855946 5.24281176 1.53885359 0.24648629E-07 0.68500000E+04 0.99855345 5.33003019 1.53768801 0.37704326E-07 0.69000000E+04 0.99854836 5.42002222 1.53653099 0.46746300E-07 0.69500000E+04 0.99854403 5.51264515 1.53540581 0.51770144E-07 0.70000000E+04 0.99854031 5.60775884 1.53434926 0.74318872E-07 0.70500000E+04 0.99853708 5.70522587 1.53338816 0.11653815E-06 0.71000000E+04 0.99853422 5.80491178 1.53252116 0.15596039E-06 0.71500000E+04 0.99853161 5.90668533 1.53171877 0.19816138E-06 0.72000000E+04 0.99852914 6.01041883 1.53094258 0.28175312E-06 0.72500000E+04 0.99852665 6.11598847 1.53017012 0.41480612E-06 0.73000000E+04 0.99852396 6.22327449 1.52940838 0.56831892E-06 0.73500000E+04 0.99852088 6.33216118 1.52868668 0.75509284E-06 0.74000000E+04 0.99851710 6.44253671 1.52803443 0.10491452E-05 0.74500000E+04 0.99851229 6.55429300 1.52745948 0.14978709E-05 0.75000000E+04 0.99850599 6.66732545 1.52694162 0.20856636E-05 0.75500000E+04 0.99849760 6.78153285 1.52644642 0.28346776E-05 0.76000000E+04 0.99848639 6.89681722 1.52594939 0.38837765E-05 0.76500000E+04 0.99847145 7.01308363 1.52545260 0.54013492E-05 0.77000000E+04 0.99845164 7.13024002 1.52498121 0.74619114E-05 0.77500000E+04 0.99842558 7.24819690 1.52456338 0.10097067E-04 0.78000000E+04 0.99839162 7.36686706 1.52420883 0.13467919E-04 0.78500000E+04 0.99834781 7.48616532 1.52390076 0.17900121E-04 0.79000000E+04 0.99829188 7.60600823 1.52360682 0.23701896E-04 0.79500000E+04 0.99822121 7.72631396 1.52330193 0.31009099E-04 0.80000000E+04 0.99813281 7.84700216 1.52298584 0.39885755E-04 0.80500000E+04 0.99802334 7.96799386 1.52268144 0.50567265E-04 0.81000000E+04 0.99788904 8.08921144 1.52241614 0.63532914E-04 0.81500000E+04 0.99772579 8.21057858 1.52220079 0.79303689E-04 0.82000000E+04 0.99752909 8.33202031 1.52202142 0.98223789E-04 0.82500000E+04 0.99729405 8.45346304 1.52184886 0.12051733E-03 0.83000000E+04 0.99701542 8.57483467 1.52166019 0.14660070E-03 0.83500000E+04 0.99668761 8.69606467 1.52145594 0.17734076E-03 0.84000000E+04 0.99630469 8.81708423 1.52125887 0.21403057E-03 0.84500000E+04 0.99586041 8.93782633 1.52109549 0.25817916E-03 0.85000000E+04 0.99534821 9.05822578 1.52097562 0.31140551E-03 0.85500000E+04 0.99476122 9.17821921 1.52088484 0.37561881E-03 0.86000000E+04 0.99409228 9.29774507 1.52079432 0.45337556E-03 0.86500000E+04 0.99333392 9.41674358 1.52068155 0.54813062E-03 0.87000000E+04 0.99247837 9.53515676 1.52054732 0.66417136E-03 0.87500000E+04 0.99151762 9.65292847 1.52041486 0.80628640E-03 0.88000000E+04 0.99044339 9.77000458 1.52031139 0.97939641E-03 0.88500000E+04 0.98924726 9.88633323 1.52024764 0.11883714E-02 0.89000000E+04 0.98792070 10.00186524 1.52021020 0.14380601E-02 0.89500000E+04 0.98645520 10.11655463 1.52017127 0.17333066E-02 0.90000000E+04 0.98484240 10.23035917 1.52010870 0.20786684E-02 0.90500000E+04 0.98307416 10.34324093 1.52002283 0.24777589E-02 0.91000000E+04 0.98114274 10.45516677 1.51993595 0.29324265E-02 0.91500000E+04 0.97904078 10.56610849 1.51987428 0.34421449E-02 0.92000000E+04 0.97676138 10.67604284 1.51984762 0.40039072E-02 0.92500000E+04 0.97429806 10.78495105 1.51984225 0.46125832E-02 0.93000000E+04 0.97164460 10.89281803 1.51983106 0.52614294E-02 0.93500000E+04 0.96879490 10.99963121 1.51979332 0.59424884E-02 0.94000000E+04 0.96574272 11.10537909 1.51973068 0.66468177E-02 0.94500000E+04 0.96248142 11.21004959 1.51966664 0.73647126E-02 0.95000000E+04 0.95900364 11.31362847 1.51962819 0.80861845E-02 0.95500000E+04 0.95530107 11.41609785 1.51962497 0.88016933E-02 0.96000000E+04 0.95136422 11.51743509 1.51964229 0.95029347E-02 0.96500000E+04 0.94718237 11.61761216 1.51965182 0.10183482E-01 0.97000000E+04 0.94274348 11.71659554 1.51963184 0.10839131E-01 0.97500000E+04 0.93803442 11.81434667 1.51958340 0.11467911E-01 0.98000000E+04 0.93304108 11.91082288 1.51952997 0.12069826E-01 0.98500000E+04 0.92774877 12.00597873 1.51949915 0.12646366E-01 0.99000000E+04 0.92214256 12.09976753 1.51950127 0.13199904E-01 0.99500000E+04 0.91620776 12.19214318 1.51952245 0.13733178E-01 0.10000000E+05 0.90993039 12.28306186 1.51953574 0.14248917E-01 0.10050000E+05 0.90329768 12.37248382 1.51952136 0.14749627E-01 0.10100000E+05 0.89629852 12.46037494 1.51948208 0.15237507E-01 0.10150000E+05 0.88892392 12.54670796 1.51944191 0.15714395E-01 0.10200000E+05 0.88116733 12.63146353 1.51942722 0.16181642E-01 0.10250000E+05 0.87302491 12.71463064 1.51944473 0.16639903E-01 0.10300000E+05 0.86449565 12.79620683 1.51947571 0.17088912E-01 0.10350000E+05 0.85558142 12.87619780 1.51948987 0.17527390E-01 0.10400000E+05 0.84628686 12.95461671 1.51946794 0.17953203E-01 0.10450000E+05 0.83661925 13.03148324 1.51941749 0.18363701E-01 0.10500000E+05 0.82658825 13.10682238 1.51936970 0.18756121E-01 0.10550000E+05 0.81620563 13.18066310 1.51935701 0.19127969E-01 0.10600000E+05 0.80548493 13.25303714 1.51938740 0.19477234E-01 0.10650000E+05 0.79444115 13.32397769 1.51943727 0.19802474E-01 0.10700000E+05 0.78309038 13.39351837 1.51946796 0.20102777E-01 0.10750000E+05 0.77144950 13.46169220 1.51945303 0.20377661E-01 0.10800000E+05 0.75953590 13.52853093 1.51939801 0.20626928E-01 0.10850000E+05 0.74736727 13.59406451 1.51933836 0.20850526E-01 0.10900000E+05 0.73496141 13.65832093 1.51931488 0.21048452E-01 0.10950000E+05 0.72233617 13.72132628 1.51934304 0.21220766E-01 0.11000000E+05 0.70950948 13.78310522 1.51940118 0.21367722E-01 0.11050000E+05 0.69649936 13.84368159 1.51944617 0.21489945E-01 0.11100000E+05 0.68332406 13.90307926 1.51944348 0.21588605E-01 0.11150000E+05 0.67000218 13.96132309 1.51939144 0.21665458E-01 0.11200000E+05 0.65655275 14.01843977 1.51932370 0.21722736E-01 0.11250000E+05 0.64299533 14.07445864 1.51928625 0.21762934E-01 0.11300000E+05 0.62935007 14.12941222 1.51930406 0.21788609E-01 0.11350000E+05 0.61563766 14.18333661 1.51936332 0.21802268E-01 0.11400000E+05 0.60187934 14.23627158 1.51942215 0.21806317E-01 0.11450000E+05 0.58809674 14.28826047 1.51943940 0.21802941E-01 0.11500000E+05 0.57431177 14.33934995 1.51940204 0.21793900E-01 0.11550000E+05 0.56054649 14.38958954 1.51933457 0.21780321E-01 0.11600000E+05 0.54682285 14.43903110 1.51928229 0.21762621E-01 0.11650000E+05 0.53316255 14.48772823 1.51927900 0.21740615E-01 0.11700000E+05 0.51958679 14.53573552 1.51932372 0.21713746E-01 0.11750000E+05 0.50611601 14.58310787 1.51938339 0.21681335E-01 0.11800000E+05 0.49276972 14.62989965 1.51941623 0.21642787E-01 0.11850000E+05 0.47956624 14.67616400 1.51939925 0.21597716E-01 0.11900000E+05 0.46652252 14.72195201 1.51934413 0.21546018E-01 0.11950000E+05 0.45365402 14.76731209 1.51928926 0.21487918E-01 0.12000000E+05 0.44097463 14.81228939 1.51927179 0.21423960E-01 0.12050000E+05 0.42849664 14.85692551 1.51930155 0.21354856E-01 0.12100000E+05 0.41623080 14.90125828 1.51935608 0.21281185E-01 0.12150000E+05 0.40418647 14.94532195 1.51939702 0.21203124E-01 0.12200000E+05 0.39237174 14.98914754 1.51939501 0.21120364E-01 0.12250000E+05 0.38079360 15.03276342 1.51934955 0.21032247E-01 0.12300000E+05 0.36945816 15.07619602 1.51929004 0.20938016E-01 0.12350000E+05 0.35837069 15.11947062 1.51925481 0.20837097E-01 0.12400000E+05 0.34753581 15.16261196 1.51926489 0.20729291E-01 0.12450000E+05 0.33695742 15.20564481 1.51931211 0.20614770E-01 0.12500000E+05 0.32663876 15.24859414 1.51936559 0.20493882E-01 0.12550000E+05 0.31658230 15.29148521 1.51939012 0.20366908E-01 0.12600000E+05 0.30678974 15.33434329 1.51936823 0.20233894E-01 0.12650000E+05 0.29726189 15.37719330 1.51931234 0.20094604E-01 0.12700000E+05 0.28799871 15.42005934 1.51925561 0.19948615E-01 0.12750000E+05 0.27899933 15.46296433 1.51922981 0.19795535E-01 0.12800000E+05 0.27026208 15.50592967 1.51924728 0.19635210E-01 0.12850000E+05 0.26178463 15.54897520 1.51929490 0.19467835E-01 0.12900000E+05 0.25356409 15.59211917 1.51934114 0.19293919E-01 0.12950000E+05 0.24559713 15.63537848 1.51935551 0.19114145E-01 0.13000000E+05 0.23788010 15.67876888 1.51932891 0.18929138E-01 0.13050000E+05 0.23040907 15.72230512 1.51927751 0.18739205E-01 0.13100000E+05 0.22317987 15.76600101 1.51922934 0.18544167E-01 0.13150000E+05 0.21618808 15.80986928 1.51920811 0.18343393E-01 0.13200000E+05 0.20942904 15.85392120 1.51922132 0.18136012E-01 0.13250000E+05 0.20289778 15.89816605 1.51925609 0.17921210E-01 0.13300000E+05 0.19658903 15.94261044 1.51928773 0.17698530E-01 0.13350000E+05 0.19049722 15.98725768 1.51929685 0.17468053E-01 0.13400000E+05 0.18461651 16.03210721 1.51927901 0.17230378E-01 0.13450000E+05 0.17894085 16.07715434 1.51924264 0.16986408E-01 0.13500000E+05 0.17346401 16.12239023 1.51920415 0.16737043E-01 0.13550000E+05 0.16817972 16.16780229 1.51918115 0.16482923E-01 0.13600000E+05 0.16308167 16.21337474 1.51918219 0.16224321E-01 0.13650000E+05 0.15816362 16.25908947 1.51920190 0.15961201E-01 0.13700000E+05 0.15341940 16.30492674 1.51922672 0.15693405E-01 0.13750000E+05 0.14884294 16.35086594 1.51924229 0.15420878E-01 0.13800000E+05 0.14442827 16.39688601 1.51923755 0.15143832E-01 0.13850000E+05 0.14016951 16.44296562 1.51921099 0.14862773E-01 0.13900000E+05 0.13606086 16.48908309 1.51917442 0.14578424E-01 0.13950000E+05 0.13209659 16.53521615 1.51914577 0.14291557E-01 0.14000000E+05 0.12827109 16.58134160 1.51913828 0.14002856E-01 0.14050000E+05 0.12457882 16.62743501 1.51915524 0.13712863E-01 0.14100000E+05 0.12101436 16.67347053 1.51918726 0.13422016E-01 0.14150000E+05 0.11757244 16.71942097 1.51921298 0.13130727E-01 0.14200000E+05 0.11424793 16.76525798 1.51921159 0.12839413E-01 0.14250000E+05 0.11103591 16.81095248 1.51917994 0.12548481E-01 0.14300000E+05 0.10793160 16.85647515 1.51913571 0.12258294E-01 0.14350000E+05 0.10493042 16.90179698 1.51910583 0.11969156E-01 0.14400000E+05 0.10202800 16.94688977 1.51911060 0.11681352E-01 0.14450000E+05 0.09922013 16.99172650 1.51914835 0.11395191E-01 0.14500000E+05 0.09650279 17.03628157 1.51919104 0.11111057E-01 0.14550000E+05 0.09387212 17.08053091 1.51920358 0.10829397E-01 0.14600000E+05 0.09132447 17.12445185 1.51917386 0.10550679E-01 0.14650000E+05 0.08885631 17.16802298 1.51912281 0.10275305E-01 0.14700000E+05 0.08646431 17.21122385 1.51908778 0.10003560E-01 0.14750000E+05 0.08414526 17.25403467 1.51909606 0.97355969E-02 0.14800000E+05 0.08189610 17.29643614 1.51914316 0.94714886E-02 0.14850000E+05 0.07971391 17.33840921 1.51919100 0.92112888E-02 0.14900000E+05 0.07759590 17.37993507 1.51919710 0.89550830E-02 0.14950000E+05 0.07553941 17.42099519 1.51915328 0.87030091E-02 0.15000000E+05 0.07354190 17.46157149 1.51909362 0.84552548E-02 0.15050000E+05 0.07160095 17.50164654 1.51906549 0.82120350E-02 0.15100000E+05 0.06971428 17.54120381 1.51909328 0.79735500E-02 0.15150000E+05 0.06787970 17.58022789 1.51915857 0.77399350E-02 0.15200000E+05 0.06609518 17.61870457 1.51920936 0.75112298E-02 0.15250000E+05 0.06435875 17.65662096 1.51920021 0.72873851E-02 0.15300000E+05 0.06266861 17.69396544 1.51913404 0.70683038E-02 0.15350000E+05 0.06102300 17.73072756 1.51906191 0.68538933E-02 0.15400000E+05 0.05942030 17.76689799 1.51904027 0.66441089E-02 0.15450000E+05 0.05785895 17.80246842 1.51908752 0.64389780E-02 0.15500000E+05 0.05633750 17.83743155 1.51917047 0.62385894E-02 0.15550000E+05 0.05485457 17.87178107 1.51922554 0.60430454E-02 0.15600000E+05 0.05340886 17.90551172 1.51920659 0.58524007E-02 0.15650000E+05 0.05199913 17.93861936 1.51912582 0.56666230E-02 0.15700000E+05 0.05062425 17.97110100 1.51904574 0.54856016E-02 0.15750000E+05 0.04928312 18.00295486 1.51902697 0.53091951E-02 0.15800000E+05 0.04797473 18.03418039 1.51908230 0.51372882E-02 0.15850000E+05 0.04669812 18.06477821 1.51916998 0.49698255E-02 0.15900000E+05 0.04545239 18.09475008 1.51922349 0.48068114E-02 0.15950000E+05 0.04423670 18.12409878 1.51920113 0.46482841E-02 0.16000000E+05 0.04305023 18.15282807 1.51912166 0.44942757E-02 0.16050000E+05 0.04189225 18.18094256 1.51904895 0.43447747E-02 0.16100000E+05 0.04076202 18.20844762 1.51903693 0.41997049E-02 0.16150000E+05 0.03965887 18.23534940 1.51908929 0.40589347E-02 0.16200000E+05 0.03858217 18.26165470 1.51916290 0.39223161E-02 0.16250000E+05 0.03753128 18.28737097 1.51920121 0.37897294E-02 0.16300000E+05 0.03650564 18.31250627 1.51917634 0.36611062E-02 0.16350000E+05 0.03550469 18.33706921 1.51911254 0.35364154E-02 0.16400000E+05 0.03452789 18.36106894 1.51906444 0.34156293E-02 0.16450000E+05 0.03357473 18.38451502 1.51906713 0.32986945E-02 0.16500000E+05 0.03264472 18.40741739 1.51911047 0.31855243E-02 0.16550000E+05 0.03173737 18.42978623 1.51915585 0.30760075E-02 0.16600000E+05 0.03085224 18.45163189 1.51916792 0.29700213E-02 0.16650000E+05 0.02998886 18.47296479 1.51913964 0.28674427E-02 0.16700000E+05 0.02914680 18.49379535 1.51909901 0.27681612E-02 0.16750000E+05 0.02832563 18.51413394 1.51908385 0.26720903E-02 0.16800000E+05 0.02752493 18.53399088 1.51910412 0.25791672E-02 0.16850000E+05 0.02674430 18.55337642 1.51913568 0.24893358E-02 0.16900000E+05 0.02598331 18.57230073 1.51914932 0.24025248E-02 0.16950000E+05 0.02524159 18.59077391 1.51913523 0.23186391E-02 0.17000000E+05 0.02451875 18.60880594 1.51910635 0.22375712E-02 0.17050000E+05 0.02381439 18.62640666 1.51908934 0.21592191E-02 0.17100000E+05 0.02312814 18.64358574 1.51910235 0.20834944E-02 0.17150000E+05 0.02245964 18.66035261 1.51913355 0.20103200E-02 0.17200000E+05 0.02180850 18.67671645 1.51915173 0.19396255E-02 0.17250000E+05 0.02117438 18.69268620 1.51914054 0.18713456E-02 0.17300000E+05 0.02055690 18.70827052 1.51911163 0.18054168E-02 0.17350000E+05 0.01995572 18.72347784 1.51908879 0.17417712E-02 0.17400000E+05 0.01937049 18.73831636 1.51909056 0.16803319E-02 0.17450000E+05 0.01880086 18.75279408 1.51911776 0.16210176E-02 0.17500000E+05 0.01824650 18.76691879 1.51914753 0.15637518E-02 0.17550000E+05 0.01770707 18.78069809 1.51915194 0.15084677E-02 0.17600000E+05 0.01718223 18.79413933 1.51912837 0.14551071E-02 0.17650000E+05 0.01667168 18.80724971 1.51910032 0.14036163E-02 0.17700000E+05 0.01617508 18.82003619 1.51909015 0.13539434E-02 0.17750000E+05 0.01569212 18.83250557 1.51910315 0.13060364E-02 0.17800000E+05 0.01522249 18.84466450 1.51912895 0.12598388E-02 0.17850000E+05 0.01476588 18.85651948 1.51914612 0.12152875E-02 0.17900000E+05 0.01432199 18.86807691 1.51913859 0.11723145E-02 0.17950000E+05 0.01389053 18.87934310 1.51911504 0.11308549E-02 0.18000000E+05 0.01347120 18.89032425 1.51910001 0.10908567E-02 0.18050000E+05 0.01306371 18.90102650 1.51910502 0.10522847E-02 0.18100000E+05 0.01266779 18.91145587 1.51912146 0.10151120E-02 0.18150000E+05 0.01228316 18.92161833 1.51913529 0.97930352E-03 0.18200000E+05 0.01190953 18.93151973 1.51913542 0.94480535E-03 0.18250000E+05 0.01154665 18.94116586 1.51912021 0.91154904E-03 0.18300000E+05 0.01119424 18.95056242 1.51910458 0.87946960E-03 0.18350000E+05 0.01085205 18.95971504 1.51910656 0.84851995E-03 0.18400000E+05 0.01051981 18.96862929 1.51912398 0.81867085E-03 0.18450000E+05 0.01019729 18.97731066 1.51913812 0.78989976E-03 0.18500000E+05 0.00988422 18.98576459 1.51913720 0.76218044E-03 0.18550000E+05 0.00958037 18.99399642 1.51912306 0.73547963E-03 0.18600000E+05 0.00928550 19.00201140 1.51910556 0.70975772E-03 0.18650000E+05 0.00899937 19.00981470 1.51910035 0.68497025E-03 0.18700000E+05 0.00872176 19.01741134 1.51911608 0.66107082E-03 0.18750000E+05 0.00845243 19.02480625 1.51913941 0.63801610E-03 0.18800000E+05 0.00819117 19.03200427 1.51914743 0.61577084E-03 0.18850000E+05 0.00793775 19.03901012 1.51913454 0.59430923E-03 0.18900000E+05 0.00769198 19.04582843 1.51911378 0.57361286E-03 0.18950000E+05 0.00745363 19.05246372 1.51910035 0.55366659E-03 0.19000000E+05 0.00722250 19.05892041 1.51910489 0.53445327E-03 0.19050000E+05 0.00699840 19.06520277 1.51912656 0.51594835E-03 0.19100000E+05 0.00678112 19.07131500 1.51914694 0.49811775E-03 0.19150000E+05 0.00657048 19.07726117 1.51914648 0.48092206E-03 0.19200000E+05 0.00636629 19.08304522 1.51912809 0.46432546E-03 0.19250000E+05 0.00616837 19.08867103 1.51911088 0.44830270E-03 0.19300000E+05 0.00597653 19.09414235 1.51910694 0.43283908E-03 0.19350000E+05 0.00579060 19.09946286 1.51911718 0.41792419E-03 0.19400000E+05 0.00561042 19.10463613 1.51913491 0.40354557E-03 0.19450000E+05 0.00543581 19.10966564 1.51914540 0.38968648E-03 0.19500000E+05 0.00526662 19.11455473 1.51913845 0.37632777E-03 0.19550000E+05 0.00510268 19.11930665 1.51912301 0.36345068E-03 0.19600000E+05 0.00494384 19.12392449 1.51911590 0.35103792E-03 0.19650000E+05 0.00478995 19.12841123 1.51912022 0.33907290E-03 0.19700000E+05 0.00464085 19.13276971 1.51912895 0.32753840E-03 0.19750000E+05 0.00449642 19.13700266 1.51913730 0.31641596E-03 0.19800000E+05 0.00435650 19.14111266 1.51914022 0.30568670E-03 0.19850000E+05 0.00422097 19.14510218 1.51913445 0.29533334E-03 0.19900000E+05 0.00408968 19.14897353 1.51912656 0.28534242E-03 0.19950000E+05 0.00396252 19.15272891 1.51912522 0.27570519E-03 0.20000000E+05 0.00383935 19.15637043 1.51912827 0.26641594E-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 -0.005168 2.26957 2 0.1554312 -0.017663 1.72765 3 0.1597487 -0.018270 1.21006 4 0.1640662 -0.009236 0.70620 5 0.1683837 0.002605 0.20574 6 0.1727013 0.010141 -0.29642 7 0.1770188 0.010004 -0.79618 8 0.1813363 0.003919 -1.28200 9 0.1856539 -0.003174 -1.74414 10 0.1899714 -0.006650 -2.18274 11 0.1942889 -0.004976 -2.60741 12 0.1986065 -0.000156 -3.03054 13 0.2029240 0.004049 2.82470 14 0.2072415 0.004757 2.39786 15 0.2115591 0.001817 1.98571 16 0.2158766 -0.002177 1.59579 17 0.2201941 -0.003845 1.22198 18 0.2245117 -0.001791 0.85041 19 0.2288292 0.001997 0.47198 20 0.2331467 0.003757 0.09227 21 0.2374643 0.001623 -0.27350 22 0.2417818 -0.002176 -0.61840 23 0.2460993 -0.003423 -0.95178 24 0.2504169 -0.000637 -1.28900 25 0.2547344 0.002908 -1.63435 26 0.2590519 0.002859 -1.97454 27 0.2633695 -0.000763 -2.29508 28 0.2676870 -0.003303 -2.59942 29 0.2720045 -0.001380 -2.90427 30 0.2763221 0.002444 3.06422 31 0.2806396 0.002895 2.75106 32 0.2849571 -0.000707 2.45669 33 0.2892746 -0.003255 2.17959 34 0.2935922 -0.001050 1.90191 35 0.2979097 0.002661 1.61360 36 0.3022272 0.002294 1.32766 37 0.3065448 -0.001647 1.06147 38 0.3108623 -0.003127 0.81026 39 0.3151798 0.000171 0.55436 40 0.3194974 0.003052 0.28788 41 0.3238149 0.000901 0.02883 42 0.3281324 -0.002822 -0.20916 43 0.3324500 -0.002022 -0.43867 44 0.3367675 0.002005 -0.67883 45 0.3410850 0.002543 -0.92524 46 0.3454026 -0.001331 -1.15585 47 0.3497201 -0.003038 -1.36818 48 0.3540376 0.000350 -1.58317 49 0.3583552 0.002937 -1.81126 50 0.3626727 0.000160 -2.03382 51 0.3669902 -0.003117 -2.23491 52 0.3713078 -0.001083 -2.42916 53 0.3756253 0.002608 -2.63692 54 0.3799428 0.001281 -2.84894 55 0.3842604 -0.002654 -3.04158 56 0.3885779 -0.001988 3.06330 57 0.3928954 0.002035 2.87457 58 0.3972129 0.001937 2.67457 59 0.4015305 -0.002071 2.48954 60 0.4058480 -0.002411 2.32371 61 0.4101655 0.001565 2.15121 62 0.4144831 0.002283 1.96286 63 0.4188006 -0.001599 1.78512 64 0.4231181 -0.002579 1.62976 65 0.4274357 0.001196 1.47094 66 0.4317532 0.002314 1.29335 67 0.4360707 -0.001397 1.12343 68 0.4403883 -0.002583 0.97827 69 0.4447058 0.001100 0.83135 70 0.4490233 0.002332 0.66313 71 0.4533409 -0.001248 0.50157 72 0.4576584 -0.002314 0.36714 73 0.4619759 0.001379 0.23073 74 0.4662935 0.002486 0.07043 75 0.4706110 -0.000980 -0.08190 76 0.4749285 -0.001616 -0.20474 77 0.4792461 0.002189 -0.33230 78 0.4835636 0.002977 -0.48618 79 0.4878811 -0.000371 -0.62728 80 0.4921987 -0.000343 -0.73621 81 0.4965162 0.003612 -0.85450 82 0.5008337 0.004003 -0.99950 83 0.5051512 0.000975 -1.12320 84 0.5094688 0.001957 -1.21425 85 0.5137863 0.006043 -1.32452 86 0.5181038 0.005941 -1.46386 87 0.5224214 0.003358 -1.57355 88 0.5267389 0.005336 -1.65472 89 0.5310564 0.009374 -1.76886 90 0.5353740 0.008918 -1.90591 91 0.5396915 0.007384 -1.99574 92 0.5440090 0.010779 -2.06471 93 0.5483266 0.014851 -2.18204 ******************************************************************************** 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 0.9952589E+00 0.9507779E-02 0.3888265E+00 1 0.6166864E-07 0.2509377E-01 0.1471731E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8094594E-06 0 26 1 0 0.5149987E-05 0 31 1 1 0.6654909E-05 0 13 3 -3 0.3082280E-07 0 17 3 -2 0.2637889E-06 0 22 3 -1 0.1426862E-05 0 27 3 0 0.3245814E-05 0 32 3 1 0.3485128E-04 0 36 3 2 0.3849169E-04 0 40 3 3 0.2065217E-04 0 7 5 -5 0.9640843E-09 0 10 5 -4 0.6640802E-08 0 14 5 -3 0.1844203E-07 0 18 5 -2 0.1210882E-06 0 23 5 -1 0.2463478E-06 0 28 5 0 0.8746362E-05 0 33 5 1 0.2762227E-04 0 37 5 2 0.4949956E-03 0 41 5 3 0.1477330E-02 0 44 5 4 0.8326921E-03 0 47 5 5 0.1504507E-03 0 3 7 -7 0.2284446E-11 0 5 7 -6 0.1766344E-10 0 8 7 -5 0.4628334E-10 0 11 7 -4 0.1585019E-08 0 15 7 -3 0.5441601E-08 0 19 7 -2 0.2618789E-06 0 24 7 -1 0.1771433E-06 0 29 7 0 0.1479937E-04 0 34 7 1 0.1085651E-03 0 38 7 2 0.4494226E-02 0 42 7 3 0.5403455E-01 0 45 7 4 0.8507881E+00 0 48 7 5 0.7799241E-01 0 50 7 6 0.4634900E-02 0 52 7 7 0.8710787E-04 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 0.1445431E-08 1 26 1 0 0.2091923E-07 1 31 1 1 0.3909288E-07 1 13 3 -3 0.3219349E-17 1 17 3 -2 0.5188351E-11 1 22 3 -1 0.5161958E-17 1 27 3 0 0.2468912E-17 1 32 3 1 0.2059095E-09 1 36 3 2 0.1338267E-17 1 40 3 3 0.1225208E-17 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.4411651E-16 1 0.8835971E-08 2 0.8848485E-07 3 0.4409170E-06 4 0.1796020E-06 5 0.5010719E-07 6 0.2175886E-07 7 0.1030315E-07 8 0.6925946E-08 9 0.2524453E-08 v, j, mj = 0 1 0 0 0.7487955E-17 1 0.1764499E-06 2 0.1511448E-05 3 0.2776334E-05 4 0.4242546E-06 5 0.1401790E-06 6 0.9608540E-07 7 0.1406577E-07 8 0.9716340E-08 9 0.1454337E-08 v, j, mj = 0 1 1 0 0.1077645E-08 1 0.3310103E-06 2 0.4746557E-05 3 0.1223239E-05 4 0.1359128E-06 5 0.8811697E-07 6 0.7649350E-07 7 0.4366448E-07 8 0.6665476E-08 9 0.2172276E-08 v, j, mj = 0 3 -3 0 0.8639439E-16 1 0.1362829E-08 2 0.5291437E-09 3 0.3807066E-08 4 0.5455161E-08 5 0.1056955E-08 6 0.7221600E-08 7 0.6949788E-08 8 0.4291294E-08 9 0.1489634E-09 v, j, mj = 0 3 -2 0 0.1900071E-07 1 0.2478673E-08 2 0.1731602E-07 3 0.1057646E-06 4 0.7261769E-07 5 0.1045168E-07 6 0.2375658E-07 7 0.6842653E-08 8 0.5410179E-08 9 0.1501330E-09 v, j, mj = 0 3 -1 0 0.1306161E-15 1 0.2290708E-07 2 0.2104372E-06 3 0.8028640E-06 4 0.2323953E-06 5 0.5312399E-07 6 0.6885011E-07 7 0.2784148E-07 8 0.7901644E-08 9 0.5414376E-09 v, j, mj = 0 3 0 0 0.3883290E-15 1 0.1355489E-06 2 0.4788108E-06 3 0.1533731E-05 4 0.6943321E-06 5 0.2592613E-06 6 0.1374017E-06 7 0.4891142E-08 8 0.1761099E-08 9 0.7623214E-10 v, j, mj = 0 3 1 0 0.8133739E-08 1 0.1458414E-05 2 0.2180878E-04 3 0.8449932E-05 4 0.2487782E-05 5 0.2816120E-06 6 0.3160016E-06 7 0.3119086E-07 8 0.9021898E-08 9 0.4104493E-09 v, j, mj = 0 3 2 0 0.2334137E-15 1 0.1713898E-04 2 0.1414617E-04 3 0.4445809E-05 4 0.2211968E-05 5 0.5087112E-06 6 0.2638994E-07 7 0.1203812E-07 8 0.1601115E-08 9 0.2441942E-10 v, j, mj = 0 3 3 0 0.9197412E-16 1 0.6492914E-05 2 0.1053349E-04 3 0.3215485E-05 4 0.2408730E-06 5 0.9841887E-07 6 0.5687702E-07 7 0.1290633E-07 8 0.1203141E-08 9 0.7954310E-11 v, j, mj = 0 5 -5 0 0.4351821E-13 1 0.4129564E-11 2 0.3261389E-10 3 0.6799884E-10 4 0.3498206E-10 5 0.2049242E-09 6 0.2240967E-09 7 0.3952955E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.2143198E-16 1 0.3972406E-09 2 0.5654112E-09 3 0.7168860E-09 4 0.4593451E-09 5 0.5121000E-09 6 0.1573009E-08 7 0.2416811E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1409661E-15 1 0.6183816E-08 2 0.1766609E-08 3 0.3296133E-08 4 0.1357344E-08 5 0.2224312E-08 6 0.1682628E-08 7 0.1931192E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1288478E-07 1 0.7970444E-08 2 0.1357194E-07 3 0.1514024E-07 4 0.1593478E-07 5 0.3232819E-07 6 0.1943002E-07 7 0.3827860E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.8952879E-16 1 0.2045198E-07 2 0.2982785E-07 3 0.9975848E-07 4 0.6345033E-07 5 0.2105645E-07 6 0.7833136E-08 7 0.3969633E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1037863E-14 1 0.2786059E-05 2 0.3189355E-05 3 0.1578804E-05 4 0.8647169E-06 5 0.2536098E-06 6 0.6219949E-07 7 0.1161822E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.6372402E-07 1 0.8455588E-06 2 0.1098022E-04 3 0.1335256E-04 4 0.2152715E-05 5 0.1919052E-06 6 0.2779038E-07 7 0.7789986E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4772852E-14 1 0.1506299E-03 2 0.2573349E-03 3 0.8183394E-04 4 0.4486342E-05 5 0.6527395E-06 6 0.2258972E-07 7 0.3517850E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1005456E-15 1 0.4311913E-03 2 0.8159484E-03 3 0.2159429E-03 4 0.1393507E-04 5 0.2593151E-06 6 0.2232082E-07 7 0.3049573E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3391957E-03 1 0.2223039E-03 2 0.1297370E-03 3 0.1087115E-03 4 0.3094576E-04 5 0.1772722E-05 6 0.2117031E-07 7 0.4257690E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.7473935E-16 1 0.6509833E-04 2 0.1301283E-04 3 0.4498793E-04 4 0.2568937E-04 5 0.1629622E-05 6 0.2701505E-07 7 0.5602577E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.4628309E-16 1 0.2194824E-12 2 0.9691661E-13 3 0.2953619E-12 4 0.3869471E-12 5 0.1285691E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1222375E-16 1 0.2690914E-12 2 0.2015836E-12 3 0.3606036E-12 4 0.3191574E-11 5 0.1364057E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5557511E-13 1 0.1152537E-11 2 0.4233649E-11 3 0.1601581E-11 4 0.1357469E-10 5 0.2566530E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2370420E-16 1 0.2139391E-10 2 0.7002289E-10 3 0.1484940E-09 4 0.7573395E-09 5 0.5877685E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2083535E-16 1 0.3190144E-09 2 0.2866976E-08 3 0.1385421E-08 4 0.6595849E-09 5 0.2106050E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3216563E-07 1 0.3474272E-07 2 0.9843825E-07 3 0.1653485E-07 4 0.6270235E-07 5 0.1729513E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2463094E-16 1 0.4340163E-07 2 0.8538509E-07 3 0.5249654E-08 4 0.2551699E-07 5 0.1758995E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.9628309E-17 1 0.3816756E-05 2 0.7668986E-05 3 0.1583925E-05 4 0.1547316E-05 5 0.1823861E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2484895E-06 1 0.2237631E-04 2 0.7127619E-04 3 0.1378912E-04 4 0.7891925E-06 5 0.8584225E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2233311E-16 1 0.2377287E-02 2 0.1931310E-02 3 0.1765251E-03 4 0.8946180E-05 5 0.1577771E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1514774E-16 1 0.3454423E-01 2 0.1829425E-01 3 0.1181117E-02 4 0.1485871E-04 5 0.1013016E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2586140E+00 1 0.4903042E+00 2 0.9890263E-01 3 0.2939284E-02 4 0.2769912E-04 5 0.2917893E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1566491E-16 1 0.3902289E-01 2 0.3573232E-01 3 0.3197402E-02 4 0.3962275E-04 5 0.1782054E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.7246573E-16 1 0.5471094E-03 2 0.3370464E-02 3 0.6954743E-03 4 0.2157766E-04 5 0.2742989E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1353161E-06 1 0.2461997E-05 2 0.5317136E-04 3 0.2980039E-04 4 0.1387615E-05 5 0.1511985E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.9323402E-16 1 0.4650692E-09 2 0.4071597E-09 3 0.5732015E-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 0.3885618E-17 1 0.7004272E-08 2 0.1309543E-07 3 0.8195313E-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 0.2290297E-09 1 0.1163185E-07 2 0.2282451E-07 3 0.4407489E-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 0.3219349E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5188351E-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 3 -1 0 0.5161958E-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 0 0 0.2468912E-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 0.2059095E-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 2 0 0.1338267E-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 3 0 0.1225208E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9952589 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.388826 average diffraction energy (ev) = 0.009508 the reaction probability = 0.4741056D-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 0.1001302E+01 0.1442430E-01 0.3877570E+00 1 0.5272751E-06 0.2448571E-01 0.7232992E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4279119E-05 0 26 1 0 0.2887694E-04 0 31 1 1 0.3472375E-04 0 13 3 -3 0.1262331E-06 0 17 3 -2 0.2236851E-05 0 22 3 -1 0.1289811E-04 0 27 3 0 0.2150605E-04 0 32 3 1 0.1508827E-03 0 36 3 2 0.1928824E-03 0 40 3 3 0.6043530E-04 0 7 5 -5 0.2484639E-08 0 10 5 -4 0.1598262E-07 0 14 5 -3 0.8831217E-07 0 18 5 -2 0.4567851E-06 0 23 5 -1 0.2847231E-05 0 28 5 0 0.5803823E-04 0 33 5 1 0.2182525E-03 0 37 5 2 0.2114085E-02 0 41 5 3 0.3341611E-02 0 44 5 4 0.2184115E-02 0 47 5 5 0.4502306E-03 0 3 7 -7 0.1720832E-10 0 5 7 -6 0.5480097E-10 0 8 7 -5 0.1729847E-09 0 11 7 -4 0.1915889E-08 0 15 7 -3 0.1304712E-07 0 19 7 -2 0.2906940E-06 0 24 7 -1 0.8452511E-06 0 29 7 0 0.3804614E-04 0 34 7 1 0.5532115E-03 0 38 7 2 0.1011882E-01 0 42 7 3 0.1103516E+00 0 45 7 4 0.6926684E+00 0 48 7 5 0.1575743E+00 0 50 7 6 0.2021341E-01 0 52 7 7 0.8997979E-03 0 1 9 -9 0.1800940E-13 0 2 9 -8 0.4156716E-13 0 4 9 -7 0.8483685E-13 0 6 9 -6 0.7418660E-13 0 9 9 -5 0.5367945E-12 0 12 9 -4 0.2290917E-10 0 16 9 -3 0.3087567E-09 0 20 9 -2 0.8129611E-08 0 25 9 -1 0.3878320E-09 0 30 9 0 0.1052168E-07 0 35 9 1 0.2910093E-07 0 39 9 2 0.1580487E-06 0 43 9 3 0.1308035E-05 0 46 9 4 0.9230693E-06 0 49 9 5 0.8213393E-06 0 51 9 6 0.7478661E-06 0 53 9 7 0.6476807E-07 0 54 9 8 0.2679450E-06 0 55 9 9 0.2144755E-08 1 21 1 -1 0.8563075E-08 1 26 1 0 0.2081274E-07 1 31 1 1 0.7243711E-07 1 13 3 -3 0.1136512E-09 1 17 3 -2 0.7278805E-09 1 22 3 -1 0.3309945E-08 1 27 3 0 0.2093564E-07 1 32 3 1 0.3219286E-07 1 36 3 2 0.2314244E-06 1 40 3 3 0.1367578E-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 0.1117154E-14 1 0.1825438E-07 2 0.1094911E-05 3 0.2817521E-05 4 0.2563996E-06 5 0.6552511E-07 6 0.1445482E-07 7 0.5335259E-08 8 0.3385092E-08 9 0.3333065E-08 v, j, mj = 0 1 0 0 0.1557268E-15 1 0.6178126E-06 2 0.1318839E-04 3 0.1435238E-04 4 0.4005705E-06 5 0.1661198E-06 6 0.7236422E-07 7 0.6828708E-07 8 0.7256949E-08 9 0.3760294E-08 v, j, mj = 0 1 1 0 0.8878402E-08 1 0.2700039E-05 2 0.2743675E-04 3 0.3609187E-05 4 0.7911820E-06 5 0.9555821E-07 6 0.3760504E-07 7 0.3598033E-07 8 0.6496704E-08 9 0.2076373E-08 v, j, mj = 0 3 -3 0 0.9357451E-15 1 0.4539884E-08 2 0.1744251E-08 3 0.4483775E-07 4 0.5160844E-07 5 0.8098490E-08 6 0.4697333E-08 7 0.5621153E-08 8 0.2498394E-08 9 0.2587433E-08 v, j, mj = 0 3 -2 0 0.3871765E-07 1 0.1142336E-08 2 0.2362614E-06 3 0.1317497E-05 4 0.5528728E-06 5 0.2389678E-07 6 0.4440788E-07 7 0.1175790E-07 8 0.8500137E-08 9 0.1797917E-08 v, j, mj = 0 3 -1 0 0.1119012E-14 1 0.6311174E-07 2 0.2573882E-05 3 0.8139793E-05 4 0.1921648E-05 5 0.1231906E-06 6 0.4179777E-07 7 0.2167327E-07 8 0.7807816E-08 9 0.5207813E-08 v, j, mj = 0 3 0 0 0.6769166E-14 1 0.2093676E-06 2 0.4540815E-05 3 0.1181370E-04 4 0.4291141E-05 5 0.5214719E-06 6 0.1064124E-06 7 0.1915955E-07 8 0.2876223E-08 9 0.1104222E-08 v, j, mj = 0 3 1 0 0.2776207E-07 1 0.1074195E-04 2 0.1079766E-03 3 0.2351036E-04 4 0.7203758E-05 5 0.1040067E-05 6 0.3459654E-06 7 0.2626663E-07 8 0.8637730E-08 9 0.1272802E-08 v, j, mj = 0 3 2 0 0.1230701E-14 1 0.1059001E-03 2 0.7099164E-04 3 0.8567708E-05 4 0.5918086E-05 5 0.1393763E-05 6 0.9456487E-07 7 0.1340601E-07 8 0.1962852E-08 9 0.1192763E-08 v, j, mj = 0 3 3 0 0.1096900E-14 1 0.1630002E-04 2 0.3393991E-04 3 0.9183286E-05 4 0.8300922E-06 5 0.9298826E-07 6 0.7773785E-07 7 0.6283121E-08 8 0.3166006E-08 9 0.1817041E-08 v, j, mj = 0 5 -5 0 0.2616275E-11 1 0.2395325E-10 2 0.4260498E-09 3 0.1050361E-09 4 0.6489278E-10 5 0.1011802E-09 6 0.3588712E-09 7 0.9791206E-09 8 0.4229190E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7142058E-15 1 0.3711489E-08 2 0.2815121E-08 3 0.8808058E-09 4 0.1603110E-08 5 0.2251826E-08 6 0.1328020E-08 7 0.1865664E-08 8 0.1526587E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1516852E-14 1 0.3592284E-07 2 0.6895377E-09 3 0.2794543E-07 4 0.1393253E-07 5 0.3613221E-08 6 0.1944462E-08 7 0.3715646E-08 8 0.5484988E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.4912359E-07 1 0.7104315E-08 2 0.4266934E-07 3 0.2456913E-06 4 0.6239874E-07 5 0.2851720E-07 6 0.1681514E-07 7 0.3715402E-08 8 0.7500806E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1008905E-14 1 0.1470273E-07 2 0.4830720E-06 3 0.1800936E-05 4 0.5006434E-06 5 0.3398274E-07 6 0.8126324E-08 7 0.4439643E-08 8 0.1328764E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.2535465E-13 1 0.4816536E-05 2 0.2930493E-04 3 0.1965718E-04 4 0.4135781E-05 5 0.5552847E-07 6 0.5252560E-07 7 0.5050123E-08 8 0.1068942E-07 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1102319E-06 1 0.7236888E-05 2 0.9603117E-04 3 0.9988075E-04 4 0.1402900E-04 5 0.9206096E-06 6 0.3590869E-07 7 0.4464103E-08 8 0.3510149E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.9791360E-13 1 0.7053967E-03 2 0.9824836E-03 3 0.3944006E-03 4 0.3021399E-04 5 0.1463575E-05 6 0.1007968E-06 7 0.1009199E-07 8 0.1593676E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1111572E-14 1 0.1052580E-02 2 0.1651046E-02 3 0.5908202E-03 4 0.4622743E-04 5 0.8315394E-06 6 0.7194128E-07 7 0.2786503E-07 8 0.5916498E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7853068E-03 1 0.6295629E-03 2 0.2040091E-03 3 0.3868649E-03 4 0.1637712E-03 5 0.1433129E-04 6 0.2400974E-06 7 0.2257844E-07 8 0.5580895E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.8407183E-15 1 0.2335524E-03 2 0.1350424E-03 3 0.3646733E-04 4 0.4031313E-04 5 0.4671363E-05 6 0.1660118E-06 7 0.1390569E-07 8 0.4003170E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.6748040E-15 1 0.7349042E-13 2 0.1628849E-12 3 0.4530046E-12 4 0.1895458E-11 5 0.7097173E-11 6 0.7525634E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2179987E-15 1 0.5159908E-13 2 0.2240192E-11 3 0.1568064E-11 4 0.6119069E-11 5 0.2181318E-10 6 0.2300864E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5556552E-12 1 0.5726430E-11 2 0.9155082E-11 3 0.8372828E-11 4 0.8587566E-11 5 0.8246228E-10 6 0.5812489E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1336171E-15 1 0.3820747E-10 2 0.2669123E-09 3 0.3597941E-09 4 0.6460971E-09 5 0.4807041E-09 6 0.1241735E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2608267E-15 1 0.3141091E-09 2 0.4577111E-08 3 0.5772216E-08 4 0.1008672E-08 5 0.1136595E-08 6 0.2384209E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2102702E-07 1 0.2716180E-07 2 0.1285294E-06 3 0.4895728E-07 4 0.5524474E-07 5 0.6810879E-08 6 0.2962844E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.7600883E-17 1 0.1632608E-06 2 0.4486941E-06 3 0.1052121E-06 4 0.4778000E-07 5 0.7125034E-07 6 0.9053817E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.9527287E-15 1 0.8140293E-05 2 0.2055405E-04 3 0.7685599E-05 4 0.1587801E-05 5 0.6114097E-07 6 0.1724970E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3704288E-06 1 0.9287541E-04 2 0.3565613E-03 3 0.9869548E-04 4 0.4202381E-05 5 0.4599780E-06 6 0.4645997E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.8461912E-14 1 0.3192644E-02 2 0.5915250E-02 3 0.9720708E-03 4 0.3872091E-04 5 0.1187067E-06 6 0.1530652E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2713793E-15 1 0.6064361E-01 2 0.4545547E-01 3 0.4158693E-02 4 0.9323595E-04 5 0.5398121E-06 6 0.8677650E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1501047E+00 1 0.4093781E+00 2 0.1267767E+00 3 0.6202147E-02 4 0.2049466E-03 5 0.1533361E-05 6 0.2027820E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2779438E-15 1 0.4772169E-01 2 0.9341305E-01 3 0.1598958E-01 4 0.4475462E-03 5 0.2394317E-05 6 0.1571199E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6507322E-14 1 0.3736403E-03 2 0.1279630E-01 3 0.6646213E-02 4 0.3953996E-03 5 0.1797662E-05 6 0.5337837E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1730343E-06 1 0.6360475E-05 2 0.3538735E-03 3 0.4888899E-03 4 0.4999376E-04 5 0.4828921E-06 6 0.2438944E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2082656E-16 1 0.1493618E-13 2 0.3052390E-14 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 0.1486101E-13 1 0.7754317E-14 2 0.1895183E-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 0.1373275E-15 1 0.3017820E-13 2 0.5452133E-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 0.1210430E-16 1 0.2991403E-13 2 0.4426046E-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 0.4119829E-13 1 0.2959576E-12 2 0.1996385E-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 -4 0 0.5395966E-17 1 0.7534105E-11 2 0.1537506E-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 -3 0 0.3392974E-17 1 0.4264133E-10 2 0.2661154E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.6745796E-09 1 0.5796528E-08 2 0.1658503E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.7809445E-17 1 0.5153947E-10 2 0.3362925E-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 0.1054484E-16 1 0.9091343E-08 2 0.1430341E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2240558E-08 1 0.1840978E-07 2 0.8450594E-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 0.2210257E-17 1 0.5691943E-07 2 0.1011293E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3811410E-17 1 0.1253824E-05 2 0.5421166E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2033736E-06 1 0.4939745E-06 2 0.2257213E-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 5 0 0.2260789E-16 1 0.5875725E-06 2 0.2337668E-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 6 0 0.9141363E-16 1 0.6449705E-06 2 0.1028955E-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 0.1440722E-07 1 0.4554214E-07 2 0.4818707E-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 8 0 0.2473271E-17 1 0.2625180E-06 2 0.5426985E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.7244219E-17 1 0.4537873E-09 2 0.1690968E-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 0.6771896E-16 1 0.8384994E-10 2 0.5171554E-09 3 0.5115507E-08 4 0.2846563E-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 0.5017514E-17 1 0.1491424E-08 2 0.5540703E-08 3 0.7467645E-08 4 0.6312968E-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 0.3090550E-10 1 0.2119414E-08 2 0.2139421E-07 3 0.3953631E-07 4 0.9356272E-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 0.5759766E-17 1 0.3658261E-11 2 0.8867531E-10 3 0.2131758E-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 -2 0 0.4790155E-10 1 0.2527616E-09 2 0.4050777E-09 3 0.2213958E-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 -1 0 0.7779901E-17 1 0.5783538E-09 2 0.2563227E-08 3 0.1683646E-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 0 0 0.3458576E-17 1 0.1774390E-07 2 0.3064414E-08 3 0.1273268E-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 0.1084070E-08 1 0.1970897E-07 2 0.1106203E-07 3 0.3377893E-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 0.4213132E-17 1 0.1920448E-06 2 0.3719815E-07 3 0.2181418E-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 0.2692467E-17 1 0.2266223E-07 2 0.1123123E-06 3 0.1783304E-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 = 1.0013021 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.387757 average diffraction energy (ev) = 0.014424 the reaction probability = -0.1302122D-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 0.9979062E+00 0.2046728E-01 0.3856240E+00 1 0.3736411E-05 0.1811611E-01 0.8228183E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2004720E-04 0 26 1 0 0.1185873E-03 0 31 1 1 0.1234053E-03 0 13 3 -3 0.1067723E-05 0 17 3 -2 0.1602410E-04 0 22 3 -1 0.7448887E-04 0 27 3 0 0.8230594E-04 0 32 3 1 0.4310430E-03 0 36 3 2 0.7296369E-03 0 40 3 3 0.1334207E-03 0 7 5 -5 0.9228257E-08 0 10 5 -4 0.8078249E-07 0 14 5 -3 0.8333060E-06 0 18 5 -2 0.4834327E-05 0 23 5 -1 0.2732592E-04 0 28 5 0 0.3406012E-03 0 33 5 1 0.1082941E-02 0 37 5 2 0.5497817E-02 0 41 5 3 0.6002990E-02 0 44 5 4 0.4226332E-02 0 47 5 5 0.1046768E-02 0 3 7 -7 0.7583243E-10 0 5 7 -6 0.1851480E-09 0 8 7 -5 0.4236436E-09 0 11 7 -4 0.6353812E-08 0 15 7 -3 0.3610618E-07 0 19 7 -2 0.5481957E-06 0 24 7 -1 0.5913352E-05 0 29 7 0 0.1404233E-03 0 34 7 1 0.2357273E-02 0 38 7 2 0.2354575E-01 0 42 7 3 0.1747654E+00 0 45 7 4 0.4776648E+00 0 48 7 5 0.2212217E+00 0 50 7 6 0.6809896E-01 0 52 7 7 0.1011826E-01 0 1 9 -9 0.5606252E-12 0 2 9 -8 0.4538088E-12 0 4 9 -7 0.8060289E-12 0 6 9 -6 0.1640270E-11 0 9 9 -5 0.3448973E-10 0 12 9 -4 0.6341797E-09 0 16 9 -3 0.2361572E-08 0 20 9 -2 0.7352867E-08 0 25 9 -1 0.9540824E-08 0 30 9 0 0.7743116E-07 0 35 9 1 0.2312983E-06 0 39 9 2 0.1202343E-05 0 43 9 3 0.2748196E-05 0 46 9 4 0.1651923E-04 0 49 9 5 0.3540423E-05 0 51 9 6 0.1221180E-05 0 53 9 7 0.2562061E-06 0 54 9 8 0.5799482E-06 0 55 9 9 0.1252137E-06 1 21 1 -1 0.2050952E-07 1 26 1 0 0.6918600E-07 1 31 1 1 0.1135239E-06 1 13 3 -3 0.7109102E-09 1 17 3 -2 0.1790113E-08 1 22 3 -1 0.8567420E-08 1 27 3 0 0.2664440E-07 1 32 3 1 0.4656308E-07 1 36 3 2 0.1046374E-05 1 40 3 3 0.2402353E-05 1 7 5 -5 0.1855374E-15 1 10 5 -4 0.2478153E-17 1 14 5 -3 0.6420621E-19 1 18 5 -2 0.7790940E-11 1 23 5 -1 0.6980161E-19 1 28 5 0 0.7555751E-19 1 33 5 1 0.8983315E-12 1 37 5 2 0.1579194E-17 1 41 5 3 0.8604880E-19 1 44 5 4 0.1797341E-09 1 47 5 5 0.7937255E-18 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 0.7242530E-14 1 0.9291778E-07 2 0.6521850E-05 3 0.1273977E-04 4 0.5223388E-06 5 0.1303646E-06 6 0.2159971E-07 7 0.1068796E-07 8 0.4284598E-08 9 0.3383601E-08 v, j, mj = 0 1 0 0 0.1208576E-14 1 0.2737489E-05 2 0.5984797E-04 3 0.5427361E-04 4 0.1265207E-05 5 0.2440046E-06 6 0.1131884E-06 7 0.9548149E-07 8 0.8572184E-08 9 0.1750291E-08 v, j, mj = 0 1 1 0 0.3360048E-07 1 0.1205728E-04 2 0.1007283E-03 3 0.5969089E-05 4 0.4029157E-05 5 0.3729202E-06 6 0.1487101E-06 7 0.4434810E-07 8 0.1906544E-07 9 0.2873423E-08 v, j, mj = 0 3 -3 0 0.8395462E-14 1 0.2692951E-07 2 0.3992514E-07 3 0.5145631E-06 4 0.4328552E-06 5 0.3374535E-07 6 0.7935097E-08 7 0.5691239E-08 8 0.2750870E-08 9 0.3327924E-08 v, j, mj = 0 3 -2 0 0.2171652E-06 1 0.3123395E-07 2 0.2162694E-05 3 0.1061236E-04 4 0.2879378E-05 5 0.3960946E-07 6 0.4878816E-07 7 0.2412857E-07 8 0.5439182E-08 9 0.3302793E-08 v, j, mj = 0 3 -1 0 0.2736647E-14 1 0.4088022E-06 2 0.1991313E-04 3 0.4799165E-04 4 0.5906960E-05 5 0.1921382E-06 6 0.5348988E-07 7 0.8841346E-08 8 0.1022188E-07 9 0.3635040E-08 v, j, mj = 0 3 0 0 0.3679060E-13 1 0.6744301E-06 2 0.2654681E-04 3 0.4426188E-04 4 0.9802294E-05 5 0.9258250E-06 6 0.5662179E-07 7 0.3385271E-07 8 0.2988001E-08 9 0.1238214E-08 v, j, mj = 0 3 1 0 0.2102414E-06 1 0.4555757E-04 2 0.3472488E-03 3 0.2115069E-04 4 0.1405302E-04 5 0.2413207E-05 6 0.3767602E-06 7 0.2631450E-07 8 0.5544313E-08 9 0.8509031E-09 v, j, mj = 0 3 2 0 0.2302334E-13 1 0.4145724E-03 2 0.2738038E-03 3 0.2332852E-04 4 0.1274877E-04 5 0.4655010E-05 6 0.4879653E-06 7 0.3327844E-07 8 0.4385601E-08 9 0.2742343E-08 v, j, mj = 0 3 3 0 0.6330404E-14 1 0.4362751E-04 2 0.7212597E-04 3 0.8722472E-05 4 0.4684634E-05 5 0.3199361E-05 6 0.9688157E-06 7 0.8400588E-07 8 0.3870607E-08 9 0.4017566E-08 v, j, mj = 0 5 -5 0 0.2336812E-11 1 0.5323243E-09 2 0.4449725E-08 3 0.2975178E-09 4 0.5494368E-09 5 0.2797183E-09 6 0.4671235E-09 7 0.1234110E-08 8 0.1415965E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7744430E-15 1 0.3331032E-07 2 0.1535182E-07 3 0.1048051E-07 4 0.1197838E-07 5 0.5596226E-08 6 0.1545580E-08 7 0.8219284E-09 8 0.1697724E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.6140143E-14 1 0.2065136E-06 2 0.1796359E-07 3 0.3740668E-06 4 0.2135870E-06 5 0.1330136E-07 6 0.2383942E-08 7 0.3727197E-08 8 0.1762555E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.3030302E-06 1 0.7072968E-07 2 0.3904101E-06 3 0.3207734E-05 4 0.8014372E-06 5 0.4195300E-07 6 0.1292573E-07 7 0.4408728E-08 8 0.1698192E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.7719902E-14 1 0.1412136E-06 2 0.6319045E-05 3 0.1719804E-04 4 0.3503777E-05 5 0.1352463E-06 6 0.2255388E-07 7 0.2862944E-08 8 0.3177229E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3375990E-12 1 0.1966814E-04 2 0.1840394E-03 3 0.1188703E-03 4 0.1742241E-04 5 0.5369000E-06 6 0.5017838E-07 7 0.9697185E-08 8 0.4176352E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1597540E-06 1 0.4871373E-04 2 0.5390135E-03 3 0.4403097E-03 4 0.5167059E-04 5 0.2984812E-05 6 0.7841867E-07 7 0.5399575E-08 8 0.5039523E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.7623991E-12 1 0.2050589E-02 2 0.2281633E-02 3 0.1083733E-02 4 0.7968699E-04 5 0.2042542E-05 6 0.1066876E-06 7 0.2004430E-07 8 0.6471302E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6902642E-14 1 0.2792299E-02 2 0.2392855E-02 3 0.7537169E-03 4 0.5575521E-04 5 0.7780794E-05 6 0.5295840E-06 7 0.4241651E-07 8 0.1133012E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1293603E-02 1 0.1186544E-02 2 0.1521072E-03 3 0.9032046E-03 4 0.6128675E-03 5 0.7614974E-04 6 0.1792482E-05 7 0.5666683E-07 8 0.6437336E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.8447335E-14 1 0.5200086E-03 2 0.4734850E-03 3 0.3699975E-04 4 0.1246491E-04 5 0.3223696E-05 6 0.5739621E-06 7 0.6389053E-08 8 0.5179942E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.8805305E-14 1 0.3474234E-12 2 0.1794519E-11 3 0.2406394E-11 4 0.4422167E-11 5 0.1571163E-10 6 0.3658401E-10 7 0.1455748E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6940979E-15 1 0.4389510E-11 2 0.8860520E-11 3 0.1390443E-10 4 0.1839061E-10 5 0.5024440E-10 6 0.7056939E-10 7 0.1878842E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5034200E-11 1 0.3701299E-11 2 0.2474895E-10 3 0.4551153E-10 4 0.5804479E-10 5 0.1867688E-09 6 0.9288570E-10 7 0.6948369E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3035224E-15 1 0.1283252E-08 2 0.1456461E-08 3 0.1481901E-08 4 0.1036640E-08 5 0.3794736E-09 6 0.6999050E-09 7 0.1617805E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5297985E-14 1 0.2104374E-08 2 0.6747694E-08 3 0.2135193E-07 4 0.2909700E-08 5 0.2071504E-08 6 0.9066392E-09 7 0.1432903E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8513278E-07 1 0.5179655E-07 2 0.1778697E-06 3 0.1644519E-06 4 0.5527404E-07 5 0.8152373E-08 6 0.5380471E-08 7 0.1378883E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9691317E-15 1 0.3837738E-06 2 0.3151423E-05 3 0.2025804E-05 4 0.2852214E-06 5 0.5176086E-07 6 0.1458014E-07 7 0.7881199E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2774262E-13 1 0.1504348E-04 2 0.7545373E-04 3 0.4597611E-04 4 0.3787823E-05 5 0.1409896E-06 6 0.1981202E-07 7 0.1348551E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5775053E-06 1 0.3633709E-03 2 0.1504167E-02 3 0.4650064E-03 4 0.2348176E-04 5 0.6078939E-06 6 0.5809880E-07 7 0.3112281E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2406447E-12 1 0.4996424E-02 2 0.1551040E-01 3 0.2909394E-02 4 0.1284922E-03 5 0.9986676E-06 6 0.4016574E-07 7 0.1140626E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1418750E-14 1 0.9102594E-01 2 0.7613025E-01 3 0.7329249E-02 4 0.2765908E-03 5 0.3314123E-05 6 0.7407140E-07 7 0.3228680E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1079063E+00 1 0.2727045E+00 2 0.8893642E-01 3 0.7168167E-02 4 0.9307181E-03 5 0.1831419E-04 6 0.3882682E-06 7 0.2710939E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.7206822E-14 1 0.3949274E-01 2 0.1413176E+00 3 0.3841657E-01 4 0.1973118E-02 5 0.2157112E-04 6 0.1004113E-06 7 0.5222850E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1377014E-12 1 0.1501117E-02 2 0.2996705E-01 3 0.3235032E-01 4 0.4208580E-02 5 0.7157599E-04 6 0.3127420E-06 7 0.4422552E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2188696E-07 1 0.1064330E-03 2 0.2770111E-02 3 0.5862425E-02 4 0.1344224E-02 5 0.3482588E-04 6 0.2128034E-06 7 0.7555347E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1584745E-16 1 0.3983582E-13 2 0.2184632E-12 3 0.2996461E-12 4 0.2664244E-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 -8 0 0.4056956E-13 1 0.3709521E-13 2 0.1318369E-12 3 0.2411329E-12 4 0.3174150E-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 0.7350304E-16 1 0.2488576E-13 2 0.3806885E-12 3 0.3986788E-12 4 0.1702320E-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 0.7949089E-17 1 0.1044905E-12 2 0.6936309E-12 3 0.8141532E-12 4 0.2798748E-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 -5 0 0.2043937E-12 1 0.9274258E-11 2 0.3251074E-11 3 0.2159720E-10 4 0.1627981E-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 -4 0 0.3268094E-16 1 0.4905635E-10 2 0.1108011E-09 3 0.4732429E-09 4 0.1079276E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.5839904E-17 1 0.2545332E-09 2 0.5739956E-09 3 0.1531037E-08 4 0.2006701E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1313626E-08 1 0.4219674E-08 2 0.8181067E-09 3 0.9992452E-09 4 0.2216000E-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 0.2568205E-17 1 0.2704461E-09 2 0.1478416E-08 3 0.7786689E-08 4 0.5273386E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.2463384E-16 1 0.2600088E-07 2 0.4547720E-08 3 0.4683828E-07 4 0.4427689E-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 0.1517339E-08 1 0.1225907E-07 2 0.2858543E-07 3 0.1887738E-06 4 0.1627478E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.5089737E-16 1 0.5988266E-06 2 0.1859618E-06 3 0.4172675E-06 4 0.2869313E-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 0.1675005E-16 1 0.7823438E-06 2 0.1074281E-05 3 0.8915065E-06 4 0.6402036E-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 4 0 0.1165836E-04 1 0.3967248E-05 2 0.5449236E-06 3 0.3480956E-06 4 0.6077254E-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 0.1800104E-16 1 0.2247469E-05 2 0.1079476E-05 3 0.2131401E-06 4 0.3374878E-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 0.2635078E-16 1 0.1586834E-06 2 0.6370031E-06 3 0.4246140E-06 4 0.8799410E-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 0.3951768E-08 1 0.7176986E-07 2 0.2721494E-07 3 0.1529803E-06 4 0.2891712E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3616508E-17 1 0.2897420E-06 2 0.1951451E-06 3 0.9488739E-07 4 0.1737895E-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 0.9021664E-17 1 0.1152706E-07 2 0.5326825E-07 3 0.6005006E-07 4 0.3682906E-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 0.7500770E-15 1 0.2671148E-08 2 0.1501652E-08 3 0.1559014E-08 4 0.9550904E-08 5 0.5226806E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.6266232E-15 1 0.1564446E-07 2 0.2019732E-07 3 0.1753625E-07 4 0.1183197E-07 5 0.3975997E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2310737E-08 1 0.3400253E-07 2 0.3070490E-07 3 0.1347456E-07 4 0.2557391E-07 5 0.7457316E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1237915E-17 1 0.5681827E-11 2 0.2997683E-10 3 0.1945430E-09 4 0.4807085E-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 0.3735813E-10 1 0.3442853E-09 2 0.7372776E-09 3 0.4770810E-09 4 0.1941106E-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 0.8468104E-16 1 0.1843275E-08 2 0.1588943E-08 3 0.4867018E-08 4 0.2681840E-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 0 0 0.1302370E-15 1 0.1098455E-07 2 0.1032622E-07 3 0.4750996E-08 4 0.5826450E-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 0.4610718E-09 1 0.2065798E-07 2 0.1326635E-07 3 0.6354656E-08 4 0.5823025E-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 0.1047911E-15 1 0.8262654E-06 2 0.1238924E-06 3 0.9337071E-07 4 0.2845004E-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 0.6829278E-17 1 0.1584941E-05 2 0.7733154E-06 3 0.3718880E-07 4 0.6907648E-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 = 0.9979099 average vibrational energy (ev) = 0.000002 average rotational energy (ev) = 0.385623 average diffraction energy (ev) = 0.020467 the reaction probability = 0.2090055D-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 0.9981474E+00 0.2752766E-01 0.3820899E+00 1 0.1501861E-03 0.2000869E-01 0.8509555E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8008354E-04 0 26 1 0 0.3979981E-03 0 31 1 1 0.3256041E-03 0 13 3 -3 0.6590238E-05 0 17 3 -2 0.7891723E-04 0 22 3 -1 0.2893594E-03 0 27 3 0 0.1888413E-03 0 32 3 1 0.9952394E-03 0 36 3 2 0.1972220E-02 0 40 3 3 0.3909674E-03 0 7 5 -5 0.8330727E-07 0 10 5 -4 0.7473528E-06 0 14 5 -3 0.8322592E-05 0 18 5 -2 0.4242480E-04 0 23 5 -1 0.1770250E-03 0 28 5 0 0.1405803E-02 0 33 5 1 0.3339182E-02 0 37 5 2 0.9381531E-02 0 41 5 3 0.1070945E-01 0 44 5 4 0.5955986E-02 0 47 5 5 0.2042165E-02 0 3 7 -7 0.1751280E-09 0 5 7 -6 0.5098315E-09 0 8 7 -5 0.3981917E-08 0 11 7 -4 0.5226992E-07 0 15 7 -3 0.1686115E-06 0 19 7 -2 0.2486837E-05 0 24 7 -1 0.4549436E-04 0 29 7 0 0.6089090E-03 0 34 7 1 0.7872041E-02 0 38 7 2 0.4832433E-01 0 42 7 3 0.2045137E+00 0 45 7 4 0.3087856E+00 0 48 7 5 0.2134037E+00 0 50 7 6 0.1261377E+00 0 52 7 7 0.5045158E-01 0 1 9 -9 0.5056063E-11 0 2 9 -8 0.3169680E-11 0 4 9 -7 0.4139234E-11 0 6 9 -6 0.1501467E-10 0 9 9 -5 0.1946891E-09 0 12 9 -4 0.1549414E-08 0 16 9 -3 0.5455766E-08 0 20 9 -2 0.1708384E-07 0 25 9 -1 0.2798118E-07 0 30 9 0 0.1834476E-06 0 35 9 1 0.9421726E-06 0 39 9 2 0.5630986E-05 0 43 9 3 0.1815918E-04 0 46 9 4 0.1395737E-03 0 49 9 5 0.4197882E-04 0 51 9 6 0.4947481E-05 0 53 9 7 0.3736593E-06 0 54 9 8 0.1008557E-05 0 55 9 9 0.3121029E-06 1 21 1 -1 0.8362705E-07 1 26 1 0 0.5538727E-06 1 31 1 1 0.2710503E-05 1 13 3 -3 0.2723427E-08 1 17 3 -2 0.6585382E-08 1 22 3 -1 0.3670612E-07 1 27 3 0 0.1153979E-06 1 32 3 1 0.4430973E-06 1 36 3 2 0.1717091E-04 1 40 3 3 0.1284464E-03 1 7 5 -5 0.6540105E-11 1 10 5 -4 0.5581305E-11 1 14 5 -3 0.1206321E-09 1 18 5 -2 0.8454450E-08 1 23 5 -1 0.2201067E-08 1 28 5 0 0.3804990E-07 1 33 5 1 0.3901181E-08 1 37 5 2 0.3219329E-07 1 41 5 3 0.3102396E-06 1 44 5 4 0.1951933E-06 1 47 5 5 0.2592514E-07 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.3191769E-13 1 0.3582580E-06 2 0.2140144E-04 3 0.4849869E-04 4 0.8400946E-05 5 0.1226931E-05 6 0.1599376E-06 7 0.3074136E-07 8 0.4294748E-08 9 0.2298551E-08 v, j, mj = 0 1 0 0 0.4934171E-15 1 0.6750339E-05 2 0.1671487E-03 3 0.1958802E-03 4 0.2502110E-04 5 0.2607403E-05 6 0.4429602E-06 7 0.1308618E-06 8 0.1327726E-07 9 0.3313767E-08 v, j, mj = 0 1 1 0 0.1034044E-06 1 0.3452161E-04 2 0.2286275E-03 3 0.2597818E-04 4 0.2585766E-04 5 0.7266064E-05 6 0.2594708E-05 7 0.5529214E-06 8 0.9478830E-07 9 0.7270698E-08 v, j, mj = 0 3 -3 0 0.4159027E-13 1 0.1752649E-06 2 0.4201768E-06 3 0.3474029E-05 4 0.2381595E-05 5 0.8691335E-07 6 0.3145419E-07 7 0.1436461E-07 8 0.3773433E-08 9 0.2666977E-08 v, j, mj = 0 3 -2 0 0.1378629E-05 1 0.4348358E-06 2 0.1139064E-04 3 0.5611327E-04 4 0.9258512E-05 5 0.2522436E-06 6 0.6224080E-07 7 0.2041106E-07 8 0.3770310E-08 9 0.2669640E-08 v, j, mj = 0 3 -1 0 0.2579635E-14 1 0.1969467E-05 2 0.9606833E-04 3 0.1812936E-03 4 0.9479806E-05 5 0.4517393E-06 6 0.7255683E-07 7 0.1360951E-07 8 0.7707564E-08 9 0.2510698E-08 v, j, mj = 0 3 0 0 0.8208731E-13 1 0.2451313E-05 2 0.8825415E-04 3 0.8693945E-04 4 0.9013891E-05 5 0.1959886E-05 6 0.1593703E-06 7 0.5746223E-07 8 0.4915807E-08 9 0.8214789E-09 v, j, mj = 0 3 1 0 0.5792445E-06 1 0.1208799E-03 2 0.7655160E-03 3 0.6701821E-04 4 0.3216955E-04 5 0.8007499E-05 6 0.9706661E-06 7 0.8815736E-07 8 0.7989539E-08 9 0.2120321E-08 v, j, mj = 0 3 2 0 0.1493896E-12 1 0.1020309E-02 2 0.7668102E-03 3 0.1005498E-03 4 0.5199181E-04 5 0.2716403E-04 6 0.5117915E-05 7 0.2635533E-06 8 0.9781680E-08 9 0.3988821E-08 v, j, mj = 0 3 3 0 0.2010503E-13 1 0.1830487E-03 2 0.1302578E-03 3 0.9113033E-05 4 0.1710843E-04 5 0.3063963E-04 6 0.1806885E-04 7 0.2631512E-05 8 0.9350724E-07 9 0.6008025E-08 v, j, mj = 0 5 -5 0 0.3062491E-09 1 0.1729613E-07 2 0.4465992E-07 3 0.6425461E-08 4 0.7431839E-08 5 0.3533084E-08 6 0.8880783E-09 7 0.9342240E-09 8 0.1288053E-08 9 0.5442295E-09 v, j, mj = 0 5 -4 0 0.2960770E-14 1 0.3098248E-06 2 0.4838377E-07 3 0.1857882E-06 4 0.1636146E-06 5 0.3099392E-07 6 0.3623429E-08 7 0.1892385E-08 8 0.2419125E-08 9 0.8126251E-09 v, j, mj = 0 5 -3 0 0.1357871E-13 1 0.1171308E-05 2 0.4429699E-06 3 0.4512443E-05 4 0.2131369E-05 5 0.5350946E-07 6 0.5779196E-08 7 0.3253804E-08 8 0.1764924E-08 9 0.1940058E-09 v, j, mj = 0 5 -2 0 0.2096918E-05 1 0.4494505E-06 2 0.4550683E-05 3 0.2852427E-04 4 0.6681885E-05 5 0.1001435E-06 6 0.1186323E-07 7 0.6442157E-08 8 0.2009480E-08 9 0.1136246E-08 v, j, mj = 0 5 -1 0 0.4034583E-13 1 0.1667974E-05 2 0.5161354E-04 3 0.1077899E-03 4 0.1548229E-04 5 0.4149518E-06 6 0.4694519E-07 7 0.5189956E-08 8 0.3878353E-08 9 0.3519701E-09 v, j, mj = 0 5 0 0 0.2227350E-11 1 0.7477395E-04 2 0.8303529E-03 3 0.4506379E-03 4 0.4801539E-04 5 0.1963090E-05 6 0.4170453E-07 7 0.7491364E-08 8 0.4915370E-08 9 0.5673132E-08 v, j, mj = 0 5 1 0 0.2167856E-06 1 0.2278366E-03 2 0.1863324E-02 3 0.1139044E-02 4 0.1031288E-03 5 0.5490789E-05 6 0.1183744E-06 7 0.1811313E-07 8 0.3980465E-08 9 0.1244886E-08 v, j, mj = 0 5 2 0 0.3383963E-11 1 0.3927845E-02 2 0.3348015E-02 3 0.2017722E-02 4 0.8596719E-04 5 0.1685220E-05 6 0.2728894E-06 7 0.1262310E-07 8 0.1067453E-07 9 0.1627625E-08 v, j, mj = 0 5 3 0 0.2673869E-13 1 0.6798654E-02 2 0.3107422E-02 3 0.5800967E-03 4 0.1611261E-03 5 0.5711082E-04 6 0.4870135E-05 7 0.1637735E-06 8 0.7835221E-08 9 0.1846028E-08 v, j, mj = 0 5 4 0 0.1616201E-02 1 0.1421874E-02 2 0.1463354E-03 3 0.1233063E-02 4 0.1288722E-02 5 0.2409725E-03 6 0.8711075E-05 7 0.8347437E-07 8 0.2099369E-07 9 0.1318894E-08 v, j, mj = 0 5 5 0 0.3388199E-13 1 0.7573592E-03 2 0.9007320E-03 3 0.4662058E-04 4 0.1398543E-03 5 0.1649760E-03 6 0.3186559E-04 7 0.7422422E-06 8 0.1170413E-07 9 0.3429428E-08 v, j, mj = 0 7 -7 0 0.5233915E-13 1 0.7408962E-11 2 0.5104050E-11 3 0.8574983E-11 4 0.1936236E-10 5 0.2130007E-10 6 0.3991717E-10 7 0.7340809E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.9668292E-15 1 0.4100805E-10 2 0.3503831E-10 3 0.4292569E-10 4 0.1297266E-09 5 0.8758861E-10 6 0.1036765E-09 7 0.6986674E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2879152E-10 1 0.6314098E-09 2 0.2046970E-08 3 0.1036496E-09 4 0.5549481E-09 5 0.2419470E-09 6 0.3271599E-09 7 0.4704042E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2300615E-14 1 0.2341321E-07 2 0.1103093E-07 3 0.9315841E-08 4 0.6374524E-08 5 0.9905061E-09 6 0.1055810E-08 7 0.8910252E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2845356E-13 1 0.4269831E-07 2 0.1107843E-07 3 0.8682191E-07 4 0.1986670E-07 5 0.6164782E-08 6 0.1647498E-08 7 0.3338480E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2624964E-06 1 0.9359217E-07 2 0.6172334E-06 3 0.1286391E-05 4 0.2042817E-06 5 0.1783668E-07 6 0.4530962E-08 7 0.4743552E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.6489575E-14 1 0.5387489E-06 2 0.2227939E-04 3 0.2044693E-04 4 0.2107744E-05 5 0.1016424E-06 6 0.1605018E-07 7 0.3854292E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4488927E-12 1 0.2643019E-04 2 0.3374009E-03 3 0.2291528E-03 4 0.1552073E-04 5 0.3864171E-06 6 0.1311198E-07 7 0.4735391E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1204987E-05 1 0.1279484E-02 2 0.5109340E-02 3 0.1414794E-02 4 0.6583236E-04 5 0.1325527E-05 6 0.5527148E-07 7 0.5490341E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2889197E-11 1 0.1099612E-01 2 0.3226288E-01 3 0.4852110E-02 4 0.2084853E-03 5 0.4619389E-05 6 0.1026610E-06 7 0.7062083E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2587245E-14 1 0.1115036E+00 2 0.8622268E-01 3 0.6070079E-02 4 0.6880025E-03 5 0.2904945E-04 6 0.2945346E-06 7 0.9683098E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1007439E+00 1 0.1600426E+00 2 0.3086480E-01 3 0.1424661E-01 4 0.2790433E-02 5 0.9610644E-04 6 0.1101167E-05 7 0.1580986E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2977052E-13 1 0.2771307E-01 2 0.1424836E+00 3 0.3928455E-01 4 0.3781551E-02 5 0.1390850E-03 6 0.1747998E-05 7 0.1836155E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1040731E-11 1 0.2852820E-02 2 0.4084465E-01 3 0.6473851E-01 4 0.1695218E-01 5 0.7447848E-03 6 0.4699713E-05 7 0.1208360E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1987491E-07 1 0.1941970E-03 2 0.8546474E-02 3 0.2770524E-01 4 0.1309036E-01 5 0.9067756E-03 6 0.8488879E-05 7 0.2261278E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3240262E-16 1 0.2575818E-13 2 0.2548443E-12 3 0.1687240E-11 4 0.3073875E-11 5 0.1431333E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1338616E-14 1 0.4449885E-12 2 0.3874392E-12 3 0.1606745E-12 4 0.2111375E-11 5 0.6386395E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.4082951E-15 1 0.5543933E-13 2 0.6085848E-12 3 0.8390150E-12 4 0.2610181E-11 5 0.2560562E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1304513E-16 1 0.2436712E-11 2 0.3945789E-11 3 0.5364978E-11 4 0.3217746E-11 5 0.4943130E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2141818E-11 1 0.9091608E-10 2 0.1283105E-10 3 0.1866327E-10 4 0.7010565E-10 5 0.3124379E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1116520E-16 1 0.4300908E-09 2 0.2500325E-09 3 0.4867537E-09 4 0.3820490E-09 5 0.4876866E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.6221188E-16 1 0.7716726E-09 2 0.2723717E-08 3 0.1034620E-08 4 0.9248777E-09 5 0.8790009E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1344087E-10 1 0.3929340E-08 2 0.9513298E-08 3 0.1542710E-08 4 0.2075287E-08 5 0.9765679E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1132333E-17 1 0.2191560E-08 2 0.3495981E-08 3 0.6936460E-08 4 0.1533732E-07 5 0.1985930E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.6177154E-16 1 0.4385138E-07 2 0.4052777E-07 3 0.6461576E-07 4 0.3433227E-07 5 0.1204223E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.3345237E-08 1 0.8287954E-07 2 0.4812388E-06 3 0.2641109E-06 4 0.1104681E-06 5 0.1300275E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1286320E-14 1 0.2538402E-05 2 0.2671674E-05 3 0.2984852E-06 4 0.1219719E-06 5 0.4532552E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1631333E-16 1 0.1040763E-04 2 0.7373730E-05 3 0.3561832E-06 4 0.2137222E-07 5 0.2714126E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.6786891E-04 1 0.5751513E-04 2 0.1296101E-04 3 0.1122924E-05 4 0.1053896E-06 5 0.3641963E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1433166E-16 1 0.3091970E-04 2 0.1062163E-04 3 0.2443275E-06 4 0.1926647E-06 5 0.5042043E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.8708288E-15 1 0.1984360E-05 2 0.1929305E-05 3 0.6351749E-06 4 0.3975980E-06 5 0.1043150E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1481460E-07 1 0.6462585E-07 2 0.7042025E-07 3 0.7405811E-07 4 0.1495947E-06 5 0.1457867E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3159722E-15 1 0.6958468E-06 2 0.1767334E-06 3 0.8206987E-07 4 0.5285659E-07 5 0.1050450E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1237680E-15 1 0.3352005E-07 2 0.6563276E-07 3 0.1043673E-06 4 0.1085128E-06 5 0.6994590E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1933802E-14 1 0.6085243E-08 2 0.3577999E-07 3 0.1924153E-07 4 0.5660001E-08 5 0.1491053E-07 6 0.1949764E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.7478559E-14 1 0.8579362E-07 2 0.2704390E-06 3 0.1534554E-06 4 0.2580145E-07 5 0.1776609E-07 6 0.6170954E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.8055170E-08 1 0.4989423E-06 2 0.1708110E-05 3 0.4620350E-06 4 0.2203556E-07 5 0.1056501E-07 6 0.7601228E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1771565E-15 1 0.1170659E-09 2 0.6421175E-10 3 0.5220685E-09 4 0.1488752E-08 5 0.5313279E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1545374E-09 1 0.2759122E-08 2 0.7315757E-09 3 0.4806228E-09 4 0.2261951E-08 5 0.1975740E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.7217354E-15 1 0.1379220E-07 2 0.8043977E-08 3 0.1099254E-07 4 0.3546706E-08 5 0.3306867E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4236823E-14 1 0.1955829E-07 2 0.7574403E-07 3 0.1509756E-07 4 0.4469110E-08 5 0.5289458E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1238451E-08 1 0.7483067E-07 2 0.1451781E-06 3 0.2058324E-06 4 0.1353574E-07 5 0.2481979E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1319233E-13 1 0.1119331E-04 2 0.5031073E-05 3 0.8933128E-06 4 0.4780438E-07 5 0.5409195E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.7791604E-16 1 0.6061707E-04 2 0.6188156E-04 3 0.5863816E-05 4 0.7793937E-07 5 0.5982082E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.3080834E-13 1 0.1114293E-11 2 0.5300454E-11 3 0.9455008E-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 0.3401939E-16 1 0.3309096E-11 2 0.2176108E-11 3 0.9606694E-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 0.4259244E-18 1 0.7277885E-10 2 0.4769228E-10 3 0.1609970E-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 0.5460430E-09 1 0.7593460E-08 2 0.3130226E-09 3 0.1924180E-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 0.6513981E-17 1 0.5307440E-09 2 0.1667626E-08 3 0.2697004E-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 0 0 0.2024751E-16 1 0.3604721E-07 2 0.1991864E-08 3 0.1081801E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.7504942E-09 1 0.1417500E-08 2 0.1689940E-08 3 0.4324632E-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 0.4061001E-17 1 0.2690096E-08 2 0.2922440E-07 3 0.2787968E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.4493905E-17 1 0.2574197E-06 2 0.5242046E-07 3 0.3994929E-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 0.5429291E-07 1 0.1050052E-06 2 0.3577798E-07 3 0.1172309E-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 0.3132003E-17 1 0.6055675E-08 2 0.1977215E-07 3 0.9730956E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9982976 average vibrational energy (ev) = 0.000077 average rotational energy (ev) = 0.382045 average diffraction energy (ev) = 0.027527 the reaction probability = 0.1702374D-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 0.9989210E+00 0.3568447E-01 0.3769248E+00 1 0.2169251E-02 0.2771817E-01 0.8529228E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2784266E-03 0 26 1 0 0.1124001E-02 0 31 1 1 0.7647108E-03 0 13 3 -3 0.3315255E-04 0 17 3 -2 0.2608299E-03 0 22 3 -1 0.7991640E-03 0 27 3 0 0.2561668E-03 0 32 3 1 0.2189241E-02 0 36 3 2 0.4078202E-02 0 40 3 3 0.9990789E-03 0 7 5 -5 0.2040246E-05 0 10 5 -4 0.7237534E-05 0 14 5 -3 0.5990536E-04 0 18 5 -2 0.2573155E-03 0 23 5 -1 0.7858958E-03 0 28 5 0 0.4073615E-02 0 33 5 1 0.6812109E-02 0 37 5 2 0.1143808E-01 0 41 5 3 0.1821772E-01 0 44 5 4 0.7263154E-02 0 47 5 5 0.3586198E-02 0 3 7 -7 0.4609011E-08 0 5 7 -6 0.7545617E-08 0 8 7 -5 0.5127808E-07 0 11 7 -4 0.4509444E-06 0 15 7 -3 0.1826199E-05 0 19 7 -2 0.1920924E-04 0 24 7 -1 0.2744441E-03 0 29 7 0 0.2372205E-02 0 34 7 1 0.2010697E-01 0 38 7 2 0.7773557E-01 0 42 7 3 0.1746545E+00 0 45 7 4 0.2314428E+00 0 48 7 5 0.1517910E+00 0 50 7 6 0.1475277E+00 0 52 7 7 0.1285622E+00 0 1 9 -9 0.1245303E-10 0 2 9 -8 0.1326763E-10 0 4 9 -7 0.1789068E-10 0 6 9 -6 0.9703719E-10 0 9 9 -5 0.7239489E-09 0 12 9 -4 0.4038819E-08 0 16 9 -3 0.1064891E-07 0 20 9 -2 0.3241705E-07 0 25 9 -1 0.1011241E-06 0 30 9 0 0.1278917E-05 0 35 9 1 0.9718840E-05 0 39 9 2 0.4003983E-04 0 43 9 3 0.1568508E-03 0 46 9 4 0.6816773E-03 0 49 9 5 0.1975721E-03 0 51 9 6 0.5310260E-04 0 53 9 7 0.3909334E-05 0 54 9 8 0.7593745E-06 0 55 9 9 0.7690254E-06 1 21 1 -1 0.1395627E-05 1 26 1 0 0.7178710E-05 1 31 1 1 0.4432505E-04 1 13 3 -3 0.9065145E-07 1 17 3 -2 0.2838840E-07 1 22 3 -1 0.9145248E-07 1 27 3 0 0.2935101E-05 1 32 3 1 0.1808514E-04 1 36 3 2 0.2085274E-03 1 40 3 3 0.1871739E-02 1 7 5 -5 0.7211418E-10 1 10 5 -4 0.7640201E-10 1 14 5 -3 0.3680440E-09 1 18 5 -2 0.7974931E-08 1 23 5 -1 0.1806291E-08 1 28 5 0 0.4021641E-07 1 33 5 1 0.7644846E-07 1 37 5 2 0.8662606E-06 1 41 5 3 0.1824063E-05 1 44 5 4 0.1025295E-04 1 47 5 5 0.1784180E-05 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 0.1986125E-12 1 0.1098027E-05 2 0.7436318E-04 3 0.1293969E-03 4 0.4528854E-04 5 0.2095890E-04 6 0.6160639E-05 7 0.1094167E-05 8 0.6322809E-07 9 0.3077575E-08 v, j, mj = 0 1 0 0 0.1851203E-12 1 0.8748021E-05 2 0.3394093E-03 3 0.5699276E-03 4 0.1651310E-03 5 0.3313677E-04 6 0.6488142E-05 7 0.1082748E-05 8 0.7289940E-07 9 0.4566047E-08 v, j, mj = 0 1 1 0 0.2351915E-06 1 0.6822885E-04 2 0.3793622E-03 3 0.1008171E-03 4 0.9403841E-04 5 0.7149905E-04 6 0.3717060E-04 7 0.1172383E-04 8 0.1594218E-05 9 0.4136739E-07 v, j, mj = 0 3 -3 0 0.1927536E-12 1 0.1015004E-06 2 0.1103247E-05 3 0.1029927E-04 4 0.1554107E-04 5 0.4789869E-05 6 0.1204222E-05 7 0.1048823E-06 8 0.4886963E-08 9 0.3594753E-08 v, j, mj = 0 3 -2 0 0.3681033E-05 1 0.2027174E-05 2 0.3234478E-04 3 0.1782039E-03 4 0.3836192E-04 5 0.5563298E-05 6 0.5971265E-06 7 0.4205813E-07 8 0.5942186E-08 9 0.2620332E-08 v, j, mj = 0 3 -1 0 0.2469897E-13 1 0.5613793E-05 2 0.2511194E-03 3 0.4889043E-03 4 0.4977114E-04 5 0.3278058E-05 6 0.3861319E-06 7 0.8030150E-07 8 0.7815064E-08 9 0.3102551E-08 v, j, mj = 0 3 0 0 0.2767995E-12 1 0.5498475E-05 2 0.1401405E-03 3 0.9314166E-04 4 0.6185437E-05 5 0.8361694E-05 6 0.2313245E-05 7 0.5047777E-06 8 0.1974668E-07 9 0.1291699E-08 v, j, mj = 0 3 1 0 0.6929207E-06 1 0.1738245E-03 2 0.1205117E-02 3 0.6171230E-03 4 0.1289651E-03 5 0.5012895E-04 6 0.1153211E-04 7 0.1729195E-05 8 0.1229983E-06 9 0.4987857E-08 v, j, mj = 0 3 2 0 0.9259321E-12 1 0.1748217E-02 2 0.1638673E-02 3 0.3139247E-03 4 0.1927327E-03 5 0.1321915E-03 6 0.4765909E-04 7 0.4733222E-05 8 0.6751774E-07 9 0.3624611E-08 v, j, mj = 0 3 3 0 0.1222188E-12 1 0.3380058E-03 2 0.2469119E-03 3 0.4777086E-04 4 0.3983232E-04 5 0.1409257E-03 6 0.1435680E-03 7 0.3991377E-04 8 0.2124355E-05 9 0.2616605E-07 v, j, mj = 0 5 -5 0 0.1555407E-08 1 0.6938858E-07 2 0.4870832E-06 3 0.5943856E-06 4 0.5138641E-06 5 0.3129844E-06 6 0.5592985E-07 7 0.3235152E-08 8 0.7911492E-09 9 0.1028512E-08 v, j, mj = 0 5 -4 0 0.1151028E-13 1 0.2092707E-05 2 0.5245046E-06 3 0.2294650E-05 4 0.2213400E-05 5 0.1043221E-06 6 0.3058875E-08 7 0.2574261E-08 8 0.1916115E-08 9 0.4015416E-09 v, j, mj = 0 5 -3 0 0.2921441E-13 1 0.5138365E-05 2 0.4747702E-05 3 0.3583877E-04 4 0.1408100E-04 5 0.6629155E-07 6 0.2614000E-07 7 0.4565845E-08 8 0.1509410E-08 9 0.1006475E-08 v, j, mj = 0 5 -2 0 0.1118257E-04 1 0.4125537E-05 2 0.3235977E-04 3 0.1770705E-03 4 0.3244773E-04 5 0.8986111E-07 6 0.3068849E-07 7 0.6019637E-08 8 0.2154991E-08 9 0.6196111E-09 v, j, mj = 0 5 -1 0 0.1508408E-12 1 0.9364032E-05 2 0.2684435E-03 3 0.4704517E-03 4 0.3703755E-04 5 0.4904720E-06 6 0.9882453E-07 7 0.6948928E-08 8 0.2072468E-08 9 0.6699375E-09 v, j, mj = 0 5 0 0 0.8156318E-11 1 0.2043773E-03 2 0.2629145E-02 3 0.1163258E-02 4 0.7406189E-04 5 0.2663995E-05 6 0.8901720E-07 7 0.1061357E-07 8 0.4756429E-08 9 0.4030195E-08 v, j, mj = 0 5 1 0 0.6741270E-06 1 0.7002526E-03 2 0.4157023E-02 3 0.1830977E-02 4 0.1131353E-03 5 0.9113431E-05 6 0.8513888E-06 7 0.7431555E-07 8 0.4132882E-08 9 0.2873170E-08 v, j, mj = 0 5 2 0 0.8257178E-11 1 0.4773414E-02 2 0.3506693E-02 3 0.2969303E-02 4 0.1394469E-03 5 0.4302643E-04 6 0.5987333E-05 7 0.2050408E-06 8 0.5895523E-08 9 0.1405135E-08 v, j, mj = 0 5 3 0 0.8596953E-13 1 0.1268824E-01 2 0.3913769E-02 3 0.5074142E-03 4 0.7634605E-03 5 0.3069136E-03 6 0.3623540E-04 7 0.1665973E-05 8 0.1843868E-07 9 0.5859593E-08 v, j, mj = 0 5 4 0 0.1689083E-02 1 0.1153891E-02 2 0.9953909E-03 3 0.1152566E-02 4 0.1643705E-02 5 0.5682419E-03 6 0.5892098E-04 7 0.1309822E-05 8 0.3803317E-07 9 0.6907820E-08 v, j, mj = 0 5 5 0 0.1080658E-12 1 0.5298906E-03 2 0.1040440E-02 3 0.9656791E-04 4 0.6024567E-03 5 0.9712348E-03 6 0.3279054E-03 7 0.1760383E-04 8 0.9089260E-07 9 0.7525255E-08 v, j, mj = 0 7 -7 0 0.1973035E-12 1 0.1062310E-09 2 0.6848368E-09 3 0.1780872E-08 4 0.1298211E-08 5 0.1718096E-09 6 0.7712262E-10 7 0.2142317E-09 8 0.2754993E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2067236E-14 1 0.1017443E-08 2 0.2320307E-08 3 0.1849619E-08 4 0.1480594E-08 5 0.3882305E-09 6 0.1876063E-09 7 0.1851820E-09 8 0.1166339E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2206862E-09 1 0.1512383E-07 2 0.2872240E-07 3 0.2172649E-08 4 0.3698977E-08 5 0.3457285E-09 6 0.8028624E-09 7 0.1543384E-09 8 0.3660330E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5252892E-14 1 0.2316607E-06 2 0.5421387E-07 3 0.9551218E-07 4 0.6136120E-07 5 0.5403977E-08 6 0.2252931E-08 7 0.5043935E-09 8 0.3512365E-10 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1136668E-12 1 0.3337824E-06 2 0.8859602E-07 3 0.1075463E-05 4 0.3049551E-06 5 0.1864500E-07 6 0.4122938E-08 7 0.3983182E-09 8 0.2355833E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3990065E-06 1 0.7764934E-07 2 0.4481864E-05 3 0.1242107E-04 4 0.1766439E-05 5 0.5123675E-07 6 0.1019920E-07 7 0.1644943E-08 8 0.1288532E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3968603E-13 1 0.5631990E-06 2 0.1334445E-03 3 0.1304657E-03 4 0.9692047E-05 5 0.2564036E-06 6 0.1637947E-07 7 0.4899346E-08 8 0.9979148E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3937812E-11 1 0.6108200E-04 2 0.1474446E-02 3 0.8008891E-03 4 0.3481554E-04 5 0.9178249E-06 6 0.4655741E-07 7 0.6057756E-08 8 0.1767174E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3158403E-05 1 0.3889400E-02 2 0.1357242E-01 3 0.2566183E-02 4 0.7277207E-04 5 0.2907091E-05 6 0.1165830E-06 7 0.8548683E-08 8 0.4085416E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1970028E-10 1 0.2536638E-01 2 0.4827987E-01 3 0.3784556E-02 4 0.2813995E-03 5 0.2296941E-04 6 0.3855489E-06 7 0.1148107E-07 8 0.8610335E-09 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1323323E-13 1 0.1050702E+00 2 0.6237388E-01 3 0.5089623E-02 4 0.1986801E-02 5 0.1318931E-03 6 0.2058845E-05 7 0.2124561E-07 8 0.2375352E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.9694894E-01 1 0.8300356E-01 2 0.1332482E-01 3 0.3292833E-01 4 0.4931260E-02 5 0.2996597E-03 6 0.6191190E-05 7 0.2245803E-07 8 0.2830270E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1019543E-12 1 0.1308920E-01 2 0.1152421E+00 3 0.1672124E-01 4 0.5997162E-02 5 0.7249585E-03 6 0.1631017E-04 7 0.4354325E-07 8 0.4944009E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4340388E-11 1 0.4927326E-02 2 0.5330345E-01 3 0.6323519E-01 4 0.2338314E-01 5 0.2632356E-02 6 0.4612055E-04 7 0.1341295E-06 8 0.2976535E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2471907E-06 1 0.3642792E-03 2 0.1710974E-01 3 0.5804176E-01 4 0.4565447E-01 5 0.7224144E-02 6 0.1670983E-03 7 0.4048374E-06 8 0.1441285E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.5913563E-15 1 0.9117800E-12 2 0.7402103E-12 3 0.2493430E-11 4 0.3243830E-11 5 0.5063184E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.4043851E-13 1 0.3282789E-12 2 0.1825012E-11 3 0.3945929E-11 4 0.4237171E-11 5 0.2890799E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.9150703E-15 1 0.2514062E-12 2 0.2452375E-11 3 0.3362978E-11 4 0.3920436E-11 5 0.7902573E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.5168708E-16 1 0.2100602E-10 2 0.2649975E-10 3 0.1803633E-10 4 0.2439680E-10 5 0.7098227E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.9168054E-11 1 0.3334545E-09 2 0.1447831E-09 3 0.8505258E-10 4 0.1301005E-09 5 0.2139020E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1039043E-15 1 0.1241608E-08 2 0.1458840E-08 3 0.1025617E-08 4 0.2335667E-09 5 0.7918663E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.5597056E-15 1 0.1919918E-08 2 0.4963997E-08 3 0.2774285E-08 4 0.6233196E-09 5 0.3673890E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3024451E-08 1 0.2362482E-08 2 0.1958036E-07 3 0.2589180E-08 4 0.3882515E-08 5 0.9780537E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.4723392E-16 1 0.9089405E-08 2 0.4922163E-07 3 0.2468672E-07 4 0.1209781E-07 5 0.6028550E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1873455E-14 1 0.2965449E-07 2 0.7312213E-06 3 0.3813461E-06 4 0.1206159E-06 5 0.1607944E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.5264501E-08 1 0.1269571E-05 2 0.6598917E-05 3 0.1734054E-05 4 0.9124751E-07 5 0.1978551E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2199751E-13 1 0.1339224E-04 2 0.2466659E-04 3 0.1679940E-05 4 0.2619822E-06 5 0.3907440E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1245101E-15 1 0.9282177E-04 2 0.5957556E-04 3 0.4068884E-05 4 0.3450275E-06 5 0.3952878E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3165897E-03 1 0.2589390E-03 2 0.9783154E-04 3 0.8145321E-05 4 0.1401590E-06 5 0.3162482E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.9355430E-15 1 0.1421784E-03 2 0.5224405E-04 3 0.2878236E-05 4 0.1982021E-06 5 0.7318787E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2401859E-13 1 0.3366193E-04 2 0.1653736E-04 3 0.2593333E-05 4 0.2081796E-06 5 0.1018016E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.7747717E-07 1 0.6165981E-06 2 0.2186818E-05 3 0.8595278E-06 4 0.1342084E-06 5 0.3470407E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3279735E-13 1 0.1113398E-06 2 0.2970034E-06 3 0.1883209E-06 4 0.1301285E-06 5 0.3258190E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.4955762E-14 1 0.5617407E-07 2 0.2798323E-06 3 0.2629688E-06 4 0.7206076E-07 5 0.9798946E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1517055E-13 1 0.1086976E-06 2 0.4367597E-06 3 0.6971664E-06 4 0.1218383E-06 5 0.2489883E-07 6 0.6266244E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.4784715E-13 1 0.2345309E-06 2 0.3985680E-05 3 0.2657031E-05 4 0.2530943E-06 5 0.4323066E-07 6 0.5143704E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1181648E-07 1 0.7151644E-05 2 0.2259172E-04 3 0.1331761E-04 4 0.1198273E-05 5 0.5034692E-07 6 0.3647553E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1715092E-14 1 0.4064034E-07 2 0.3746961E-07 3 0.8911375E-08 4 0.1173809E-08 5 0.2230426E-08 6 0.2258923E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2115507E-09 1 0.2107654E-08 2 0.1344211E-07 3 0.9226515E-08 4 0.1897537E-08 5 0.1439228E-08 6 0.6380301E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1157355E-13 1 0.2582144E-07 2 0.3644450E-07 3 0.2318216E-07 4 0.3873766E-08 5 0.2008054E-08 6 0.1225482E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.7375925E-13 1 0.1684637E-06 2 0.1711066E-05 3 0.9764440E-06 4 0.7584531E-07 5 0.3087812E-08 6 0.1933846E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2066785E-08 1 0.2703847E-06 2 0.1135253E-04 3 0.6090833E-05 4 0.3507861E-06 5 0.1800501E-07 6 0.5281902E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1212583E-12 1 0.8207997E-04 2 0.9491960E-04 3 0.2987719E-04 4 0.1612885E-05 5 0.3720112E-07 6 0.5309989E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1193185E-14 1 0.5372184E-03 2 0.1045108E-02 3 0.2796518E-03 4 0.9696995E-05 5 0.6315120E-07 6 0.3058368E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.5999991E-12 1 0.2609815E-11 2 0.1512565E-10 3 0.3992868E-10 4 0.1385003E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.7918820E-16 1 0.8253059E-11 2 0.2673845E-10 3 0.3520734E-10 4 0.6203078E-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 0.3181749E-17 1 0.1149957E-09 2 0.8570809E-10 3 0.1436154E-09 4 0.2372480E-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 -2 0 0.5238164E-09 1 0.4623938E-08 2 0.1542131E-08 3 0.1232230E-08 4 0.5281512E-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 0.1146203E-15 1 0.4832108E-09 2 0.8338687E-09 3 0.3539008E-09 4 0.1353104E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.6605745E-15 1 0.2381908E-07 2 0.1297522E-07 3 0.2955932E-08 4 0.4661816E-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 0.4200899E-08 1 0.7598788E-08 2 0.4381329E-07 3 0.2064485E-07 4 0.1906322E-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 0.2127296E-14 1 0.3794687E-06 2 0.3999452E-06 3 0.8595677E-07 4 0.8899714E-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 3 0 0.1744509E-16 1 0.1135495E-05 2 0.5458174E-06 3 0.1409482E-06 4 0.1803135E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.2727334E-05 1 0.6053081E-05 2 0.1431888E-05 3 0.3876079E-07 4 0.1882610E-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 0.1364254E-16 1 0.1269132E-05 2 0.4826186E-06 3 0.3093258E-07 4 0.1497200E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0010902 average vibrational energy (ev) = 0.001104 average rotational energy (ev) = 0.376293 average diffraction energy (ev) = 0.035667 the reaction probability = -0.1090238D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40043101D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9936529E+00 0.4438150E-01 0.3698262E+00 1 0.6086940E-02 0.2613349E-01 0.1393175E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.8561585E-03 0 26 1 0 0.2825758E-02 0 31 1 1 0.1355434E-02 0 13 3 -3 0.1290464E-03 0 17 3 -2 0.5716651E-03 0 22 3 -1 0.1612780E-02 0 27 3 0 0.3164506E-03 0 32 3 1 0.5212665E-02 0 36 3 2 0.6005108E-02 0 40 3 3 0.2593338E-02 0 7 5 -5 0.3182952E-04 0 10 5 -4 0.5316968E-04 0 14 5 -3 0.2997519E-03 0 18 5 -2 0.1067837E-02 0 23 5 -1 0.2411082E-02 0 28 5 0 0.8378565E-02 0 33 5 1 0.9445811E-02 0 37 5 2 0.1255174E-01 0 41 5 3 0.2514920E-01 0 44 5 4 0.1018143E-01 0 47 5 5 0.6723012E-02 0 3 7 -7 0.4528625E-06 0 5 7 -6 0.2849544E-06 0 8 7 -5 0.5689357E-06 0 11 7 -4 0.3761229E-05 0 15 7 -3 0.1785118E-04 0 19 7 -2 0.1263031E-03 0 24 7 -1 0.1197919E-02 0 29 7 0 0.7138014E-02 0 34 7 1 0.3844182E-01 0 38 7 2 0.9288243E-01 0 42 7 3 0.1123051E+00 0 45 7 4 0.2071031E+00 0 48 7 5 0.9471336E-01 0 50 7 6 0.1377285E+00 0 52 7 7 0.2000648E+00 0 1 9 -9 0.3957029E-10 0 2 9 -8 0.7504549E-10 0 4 9 -7 0.1252226E-09 0 6 9 -6 0.2451253E-09 0 9 9 -5 0.1571818E-08 0 12 9 -4 0.9115060E-08 0 16 9 -3 0.3522097E-07 0 20 9 -2 0.1306901E-06 0 25 9 -1 0.1332928E-05 0 30 9 0 0.1243817E-04 0 35 9 1 0.7247934E-04 0 39 9 2 0.1951479E-03 0 43 9 3 0.7027068E-03 0 46 9 4 0.2133273E-02 0 49 9 5 0.8534911E-03 0 51 9 6 0.1493469E-03 0 53 9 7 0.2893012E-04 0 54 9 8 0.1826870E-05 0 55 9 9 0.5608053E-05 1 21 1 -1 0.3301014E-04 1 26 1 0 0.2096917E-04 1 31 1 1 0.9247720E-04 1 13 3 -3 0.7173372E-06 1 17 3 -2 0.5381461E-06 1 22 3 -1 0.4609336E-05 1 27 3 0 0.2999141E-04 1 32 3 1 0.2031918E-03 1 36 3 2 0.1059929E-02 1 40 3 3 0.1999192E-02 1 7 5 -5 0.2763244E-09 1 10 5 -4 0.4891368E-09 1 14 5 -3 0.3861824E-08 1 18 5 -2 0.8687621E-08 1 23 5 -1 0.3200001E-07 1 28 5 0 0.3598787E-06 1 33 5 1 0.4074445E-05 1 37 5 2 0.3020907E-04 1 41 5 3 0.5654226E-04 1 44 5 4 0.8834768E-03 1 47 5 5 0.1667606E-02 1 3 7 -7 0.2021294E-17 1 5 7 -6 0.1307754E-16 1 8 7 -5 0.1487733E-12 1 11 7 -4 0.8162490E-18 1 15 7 -3 0.1962150E-18 1 19 7 -2 0.1230047E-11 1 24 7 -1 0.1080065E-18 1 29 7 0 0.7368831E-18 1 34 7 1 0.6665000E-11 1 38 7 2 0.1286562E-17 1 42 7 3 0.1396724E-17 1 45 7 4 0.1186525E-08 1 48 7 5 0.1224580E-17 1 50 7 6 0.1312239E-16 1 52 7 7 0.4991197E-10 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 0.6346840E-11 1 0.3414924E-05 2 0.1625067E-03 3 0.3480935E-03 4 0.1226895E-03 5 0.1121990E-03 6 0.7802625E-04 7 0.2584787E-04 8 0.3305674E-05 9 0.7512245E-07 v, j, mj = 0 1 0 0 0.2502875E-11 1 0.7745713E-05 2 0.5491656E-03 3 0.1338463E-02 4 0.6703641E-03 5 0.1938528E-03 6 0.5381362E-04 7 0.1134763E-04 8 0.9890909E-06 9 0.1629225E-07 v, j, mj = 0 1 1 0 0.5261167E-07 1 0.5717356E-04 2 0.3555070E-03 3 0.3303945E-03 4 0.1125206E-03 5 0.1871867E-03 6 0.1983014E-03 7 0.9382577E-04 8 0.1967559E-04 9 0.7960494E-06 v, j, mj = 0 3 -3 0 0.1358080E-11 1 0.1277786E-05 2 0.5704710E-05 3 0.1534199E-04 4 0.3625332E-04 5 0.4475463E-04 6 0.2087541E-04 7 0.4544148E-05 8 0.2887846E-06 9 0.5600278E-08 v, j, mj = 0 3 -2 0 0.1623634E-05 1 0.3590540E-05 2 0.3034948E-04 3 0.3318798E-03 4 0.1449259E-03 5 0.4932296E-04 6 0.8745155E-05 7 0.1144311E-05 8 0.7983497E-07 9 0.3460804E-08 v, j, mj = 0 3 -1 0 0.1854697E-11 1 0.1107801E-04 2 0.3018976E-03 3 0.9001787E-03 4 0.3329079E-03 5 0.5462882E-04 6 0.9618303E-05 7 0.2203227E-05 8 0.2641094E-06 9 0.2983533E-08 v, j, mj = 0 3 0 0 0.6172648E-11 1 0.1855187E-04 2 0.1405881E-03 3 0.6356885E-04 4 0.4039442E-04 5 0.2866404E-04 6 0.1873857E-04 7 0.5453065E-05 8 0.4839938E-06 9 0.7632108E-08 v, j, mj = 0 3 1 0 0.9636956E-06 1 0.1983080E-03 2 0.1735741E-02 3 0.2111805E-02 4 0.7237284E-03 5 0.3139525E-03 6 0.1032192E-03 7 0.2265002E-04 8 0.2234839E-05 9 0.6292907E-07 v, j, mj = 0 3 2 0 0.1605611E-11 1 0.1909124E-02 2 0.2016201E-02 3 0.8953761E-03 4 0.5131053E-03 5 0.3815718E-03 6 0.2324948E-03 7 0.5457000E-04 8 0.2649130E-05 9 0.1514916E-07 v, j, mj = 0 3 3 0 0.3637522E-12 1 0.3034225E-03 2 0.8905080E-03 3 0.1294609E-03 4 0.4143288E-04 5 0.3467456E-03 6 0.5737261E-03 7 0.2786739E-03 8 0.2896882E-04 9 0.3994182E-06 v, j, mj = 0 5 -5 0 0.5494545E-08 1 0.3510748E-06 2 0.1251154E-05 3 0.6020238E-05 4 0.1150335E-04 5 0.8926716E-05 6 0.3413264E-05 7 0.3516941E-06 8 0.5370346E-08 9 0.1170618E-08 v, j, mj = 0 5 -4 0 0.5528773E-12 1 0.7956709E-05 2 0.4884521E-05 3 0.1731408E-04 4 0.1780352E-04 5 0.4505962E-05 6 0.6744026E-06 7 0.2732422E-07 8 0.2189544E-08 9 0.9706049E-09 v, j, mj = 0 5 -3 0 0.2355682E-12 1 0.1538699E-04 2 0.2899432E-04 3 0.1712921E-03 4 0.7854286E-04 5 0.5010957E-05 6 0.4722557E-06 7 0.4753957E-07 8 0.4075815E-08 9 0.7788533E-09 v, j, mj = 0 5 -2 0 0.3521368E-04 1 0.2722195E-04 2 0.1242678E-03 3 0.7373278E-03 4 0.1399973E-03 5 0.3505573E-05 6 0.2702891E-06 7 0.2977249E-07 8 0.2211069E-08 9 0.6400972E-09 v, j, mj = 0 5 -1 0 0.2229569E-12 1 0.2940174E-04 2 0.8403459E-03 3 0.1459101E-02 4 0.8001951E-04 5 0.1493547E-05 6 0.6485595E-06 7 0.6584919E-07 8 0.4552582E-08 9 0.1081248E-08 v, j, mj = 0 5 0 0 0.1032604E-10 1 0.3644276E-03 2 0.5503296E-02 3 0.2437462E-02 4 0.6457608E-04 5 0.7441237E-05 6 0.1179701E-05 7 0.1692958E-06 8 0.8011385E-08 9 0.4600359E-08 v, j, mj = 0 5 1 0 0.2030519E-05 1 0.1262282E-02 2 0.5950924E-02 3 0.2059323E-02 4 0.1224221E-03 5 0.3918548E-04 6 0.8866485E-05 7 0.7561761E-06 8 0.1890794E-07 9 0.1690641E-08 v, j, mj = 0 5 2 0 0.7086417E-11 1 0.3674434E-02 2 0.3410683E-02 3 0.4260007E-02 4 0.8346126E-03 5 0.3097937E-03 6 0.5750541E-04 7 0.4630370E-05 8 0.7069820E-07 9 0.1525148E-08 v, j, mj = 0 5 3 0 0.7833255E-12 1 0.1492825E-01 2 0.5707763E-02 3 0.9768733E-03 4 0.2199893E-02 5 0.1098433E-02 6 0.2214309E-03 7 0.1620318E-04 8 0.3518551E-06 9 0.5061885E-08 v, j, mj = 0 5 4 0 0.1292336E-02 1 0.1366159E-02 2 0.2962895E-02 3 0.1560833E-02 4 0.1534816E-02 5 0.1100123E-02 6 0.3406716E-03 7 0.2324271E-04 8 0.3371736E-06 9 0.1080131E-07 v, j, mj = 0 5 5 0 0.6190499E-12 1 0.2828728E-04 2 0.5181658E-03 3 0.8621413E-03 4 0.1334757E-02 5 0.2425932E-02 6 0.1380263E-02 7 0.1706765E-03 8 0.2768698E-05 9 0.1942768E-07 v, j, mj = 0 7 -7 0 0.4844571E-12 1 0.9098794E-09 2 0.3635580E-07 3 0.1217372E-06 4 0.1937217E-06 5 0.9279907E-07 6 0.6836443E-08 7 0.2249486E-09 8 0.2769660E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2450905E-13 1 0.1362006E-07 2 0.4888816E-07 3 0.7630793E-07 4 0.1038336E-06 5 0.3944852E-07 6 0.2418602E-08 7 0.3190022E-09 8 0.1184940E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1990983E-08 1 0.1587116E-06 2 0.2290467E-06 3 0.1120861E-06 4 0.6185141E-07 5 0.2647778E-08 6 0.2078967E-08 7 0.4206371E-09 8 0.1015344E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4113648E-14 1 0.1324907E-05 2 0.4372275E-06 3 0.1305985E-05 4 0.6671657E-06 5 0.2026180E-07 6 0.4796682E-08 7 0.7389244E-09 8 0.1466438E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3599155E-12 1 0.1589215E-05 2 0.1534479E-05 3 0.1166294E-04 4 0.3011854E-05 5 0.4404964E-07 6 0.7093576E-08 7 0.1326627E-08 8 0.2207449E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4123889E-06 1 0.3380052E-06 2 0.2913759E-04 3 0.8732473E-04 4 0.8990418E-05 5 0.8468049E-07 6 0.1275603E-07 7 0.2000818E-08 8 0.5545511E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2969111E-12 1 0.3342113E-05 2 0.6174649E-03 3 0.5579353E-03 4 0.1890971E-04 5 0.2345427E-06 6 0.2140590E-07 7 0.1061942E-07 8 0.7933707E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2113749E-10 1 0.1757812E-03 2 0.5142864E-02 3 0.1798015E-02 4 0.1983805E-04 5 0.1416728E-05 6 0.9086183E-07 7 0.5159420E-08 8 0.2712138E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.8770875E-05 1 0.9530319E-02 2 0.2662791E-01 3 0.2198586E-02 4 0.6561592E-04 5 0.1033187E-04 6 0.2648102E-06 7 0.2701884E-07 8 0.3547139E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.8097459E-10 1 0.4450095E-01 2 0.4629732E-01 3 0.1082617E-02 4 0.9060320E-03 5 0.9240566E-04 6 0.3045048E-05 7 0.5165995E-07 8 0.4170571E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6213102E-13 1 0.6533895E-01 2 0.2594303E-01 3 0.1650216E-01 4 0.4139448E-02 5 0.3670971E-03 6 0.1426445E-04 7 0.1881614E-06 8 0.5201571E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.8588970E-01 1 0.3317616E-01 2 0.3844724E-01 3 0.4237593E-01 4 0.6245907E-02 5 0.9251348E-03 6 0.4246510E-04 7 0.5530225E-06 8 0.8334754E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3397589E-12 1 0.2214258E-02 2 0.7101541E-01 3 0.5777281E-02 4 0.1296549E-01 5 0.2633723E-02 6 0.1060677E-03 7 0.1122244E-05 8 0.7683516E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1137259E-10 1 0.8207931E-02 2 0.6375673E-01 3 0.5038559E-01 4 0.1139917E-01 5 0.3750198E-02 6 0.2270297E-03 7 0.1881267E-05 8 0.9429393E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1578192E-05 1 0.7905579E-03 2 0.3280222E-01 3 0.7899569E-01 4 0.6600207E-01 5 0.2027896E-01 6 0.1183810E-02 7 0.9909910E-05 8 0.2810033E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1589672E-14 1 0.5584447E-12 2 0.7519485E-11 3 0.8118699E-11 4 0.9293070E-11 5 0.5929120E-11 6 0.8149885E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1013387E-11 1 0.3560917E-11 2 0.1491935E-10 3 0.2900894E-10 4 0.6026083E-11 5 0.8854127E-11 6 0.1166268E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.6126860E-14 1 0.1022750E-10 2 0.1307954E-10 3 0.2992231E-10 4 0.2933237E-10 5 0.2369954E-10 6 0.1895520E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.2304420E-16 1 0.1367356E-10 2 0.6535195E-10 3 0.6787593E-10 4 0.5571605E-10 5 0.2157051E-10 6 0.2093733E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.3447061E-10 1 0.3291070E-09 2 0.1985768E-09 3 0.4844507E-09 4 0.4407331E-09 5 0.6556681E-10 6 0.1891308E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.7426051E-16 1 0.1223918E-08 2 0.3557709E-08 3 0.2746934E-08 4 0.1205803E-08 5 0.3148309E-09 6 0.6586514E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3431260E-14 1 0.1671528E-08 2 0.2132348E-07 3 0.9167511E-08 4 0.2080774E-08 5 0.8226635E-09 6 0.1550058E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1301875E-07 1 0.4475762E-08 2 0.5076151E-07 3 0.5364660E-07 4 0.4497711E-08 5 0.3591258E-08 6 0.6984962E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3849359E-15 1 0.4158065E-07 2 0.6857649E-06 3 0.5609399E-06 4 0.2461061E-07 5 0.1831537E-07 6 0.1716475E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.2408308E-13 1 0.1383365E-06 2 0.8955064E-05 3 0.3164396E-05 4 0.1335621E-06 5 0.4483943E-07 6 0.1969614E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.6313227E-08 1 0.1264125E-04 2 0.5064178E-04 3 0.8801160E-05 4 0.2996659E-06 5 0.8518398E-07 6 0.3979955E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1533030E-12 1 0.7421055E-04 2 0.1099960E-03 3 0.1055819E-04 4 0.3431332E-06 5 0.3403656E-07 6 0.5980260E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.4526342E-15 1 0.4784870E-03 2 0.2000580E-03 3 0.2299522E-04 4 0.1140157E-05 5 0.1746231E-07 6 0.8899882E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1148194E-02 1 0.6740788E-03 2 0.2858627E-03 3 0.2491422E-04 4 0.1782340E-06 5 0.3704615E-07 6 0.7955384E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.8770579E-14 1 0.6375865E-03 2 0.1932833E-03 3 0.2157718E-04 4 0.9705082E-06 5 0.6711631E-07 6 0.6521716E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1334691E-12 1 0.1333977E-03 2 0.1349121E-04 3 0.2189161E-05 4 0.1055469E-06 5 0.1460849E-06 6 0.1719869E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1612028E-06 1 0.6220235E-05 2 0.1509336E-04 3 0.6426217E-05 4 0.9183320E-06 5 0.9721935E-07 6 0.1355450E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.7197910E-13 1 0.3068623E-06 2 0.1078760E-05 3 0.2671133E-06 4 0.9805070E-07 5 0.5825617E-07 6 0.1782737E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.2684829E-13 1 0.5686322E-06 2 0.2440418E-05 3 0.2078254E-05 4 0.3692400E-06 5 0.1257435E-06 6 0.2576515E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1224381E-12 1 0.4569493E-06 2 0.1341719E-04 3 0.1540553E-04 4 0.3528538E-05 5 0.1827199E-06 6 0.1792687E-07 7 0.1293039E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1105602E-12 1 0.1046296E-05 2 0.1614252E-04 3 0.2250889E-05 4 0.1390906E-05 5 0.1315015E-06 6 0.5448550E-08 7 0.1603352E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.5927940E-07 1 0.2554570E-04 2 0.1864031E-04 3 0.1925758E-04 4 0.2628756E-04 5 0.2638891E-05 6 0.4678389E-07 7 0.1101249E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.9980181E-14 1 0.1122092E-06 2 0.1426950E-06 3 0.3749574E-06 4 0.8415973E-07 5 0.2086183E-08 6 0.1229703E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2820714E-07 1 0.1745173E-07 2 0.1287125E-06 3 0.3343627E-06 4 0.2553214E-07 5 0.3383534E-08 6 0.4963613E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.5520988E-13 1 0.5436129E-07 2 0.1518228E-05 3 0.2551783E-05 4 0.4701941E-06 5 0.1355142E-07 6 0.1218147E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5371157E-12 1 0.2758680E-05 2 0.2026652E-04 3 0.6303927E-05 4 0.6358755E-06 5 0.2389159E-07 6 0.2515982E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.6172938E-08 1 0.1729589E-04 2 0.1460970E-03 3 0.3655413E-04 4 0.2996536E-05 5 0.2174265E-06 6 0.2461213E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.9337419E-12 1 0.4410912E-03 2 0.4969628E-03 3 0.1117126E-03 4 0.9825012E-05 5 0.3338748E-06 6 0.3281878E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3426593E-13 1 0.4404837E-03 2 0.7760079E-03 3 0.6772305E-03 4 0.1037884E-03 5 0.1670074E-05 6 0.1164663E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1251706E-11 1 0.2166887E-10 2 0.6018858E-10 3 0.4901543E-10 4 0.1195014E-09 5 0.2469842E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2767259E-15 1 0.1199628E-09 2 0.2114550E-09 3 0.9527492E-10 4 0.4628156E-10 5 0.1616223E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.2535050E-15 1 0.2017760E-08 2 0.3245355E-09 3 0.1260813E-08 4 0.2105149E-09 5 0.4820035E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.5158408E-09 1 0.1608180E-08 2 0.3500926E-08 3 0.2030053E-08 4 0.9184982E-09 5 0.1141227E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.8941750E-15 1 0.7860872E-10 2 0.1857342E-07 3 0.1150594E-07 4 0.1756316E-08 5 0.8571865E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.1207914E-13 1 0.1911987E-07 2 0.2317157E-06 3 0.1004180E-06 4 0.8491571E-08 5 0.1335996E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.7918026E-09 1 0.4864164E-06 2 0.2970628E-05 3 0.5979714E-06 4 0.1824275E-07 5 0.3938494E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.3260384E-13 1 0.1205432E-04 2 0.1641244E-04 3 0.1709749E-05 4 0.3147432E-07 5 0.1085202E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1205955E-15 1 0.3545855E-04 2 0.2087988E-04 3 0.1767970E-06 4 0.2536566E-07 5 0.1670478E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.2920700E-03 1 0.5359397E-03 2 0.5533028E-04 3 0.9529439E-07 4 0.3791972E-07 5 0.3683935E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.6920880E-14 1 0.8554913E-03 2 0.7459056E-03 3 0.6556631E-04 4 0.6396285E-06 5 0.2887269E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.2021294E-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 -6 0 0.1307754E-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 7 -5 0 0.1487733E-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 -4 0 0.8162490E-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 -3 0 0.1962150E-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 0.1230047E-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 -1 0 0.1080065E-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 0 0 0.7368831E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.6665000E-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 2 0 0.1286562E-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 3 0 0.1396724E-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 0.1186525E-08 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.1224580E-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 6 0 0.1312239E-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 7 7 0 0.4991197E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9997399 average vibrational energy (ev) = 0.003102 average rotational energy (ev) = 0.368423 average diffraction energy (ev) = 0.044270 the reaction probability = 0.2601210D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 102914.2376 (a) ... Propagating the wavefunction 100550.3829 (b) Setup time 2133.0669 Saving the wave function for rerun 43.7704 Calculating averages 5.1810 Calculating and saving BK-coeffs 15.9927 Asymptotic analysis 4.3000 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 102752.6939 (a) ... FFTs along X and Y 4844.8918 Kinetic energy operation along Z 28431.9715 Kinetic energy operation along r 20705.8910 Potential energy multiplication 12621.2300 Legengre transforms 27537.9294 Shifting the wavefunction 2010.5024 Kinetic energy multiplications (xy) 466.8402 Absorbing the wavefunction 555.7554 Projection formalism 15.9184 Operations on specular grid 0.1999 ----------------------------------------------------- Sum 97191.1301 (b) ... Potential initialisation time 0.0000 Potential setup time 2109.5549 FFTs along X 2493.7559 FFTs along Y 2351.1358 Time spent on FGH for asympwf 0.4811 Ending date and time: Sat Aug 10 21:16:13 CEST 2019