Starting date and time: Fri Aug 9 11:51:02 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 115102.804 *** * 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: v0j7mj3-0.15eV-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: 3 * 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: 3 * 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 = 3 ... *** 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 = 0.25987625E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 146 iz = 156 iz = 143 iz = 150 iz = 160 iz = 145 iz = 154 iz = 149 iz = 158 iz = 153 iz = 162 iz = 157 iz = 161 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.16957819E+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 = 210 ******************************************************************************** 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 = 11112 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.51909677 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.51910328 0.99999998E+00 0.10000000E+03 0.99999997 17.14754172 1.51910988 0.99999995E+00 0.15000000E+03 0.99999996 17.02131258 1.51911097 0.99999979E+00 0.20000000E+03 0.99999994 16.89508344 1.51911064 0.99999852E+00 0.25000000E+03 0.99999993 16.76885430 1.51910928 0.99998982E+00 0.30000000E+03 0.99999991 16.64262516 1.51910374 0.99993928E+00 0.35000000E+03 0.99999990 16.51639602 1.51909728 0.99969720E+00 0.40000000E+03 0.99999989 16.39016687 1.51910212 0.99874786E+00 0.45000000E+03 0.99999987 16.26393773 1.51911063 0.99569670E+00 0.50000000E+03 0.99999986 16.13770858 1.51911134 0.98760718E+00 0.55000000E+03 0.99999984 16.01147941 1.51911033 0.96972254E+00 0.60000000E+03 0.99999983 15.88525016 1.51910874 0.93629614E+00 0.65000000E+03 0.99999982 15.75902072 1.51910394 0.88265990E+00 0.70000000E+03 0.99999980 15.63279086 1.51909801 0.80756267E+00 0.75000000E+03 0.99999979 15.50656013 1.51910108 0.71431857E+00 0.80000000E+03 0.99999977 15.38032789 1.51911102 0.61003002E+00 0.85000000E+03 0.99999976 15.25409318 1.51911191 0.50340984E+00 0.90000000E+03 0.99999974 15.12785481 1.51911005 0.40241934E+00 0.95000000E+03 0.99999973 15.00161134 1.51910821 0.31270928E+00 0.10000000E+04 0.99999972 14.87536121 1.51910400 0.23716175E+00 0.10500000E+04 0.99999970 14.74910281 1.51909869 0.17627132E+00 0.11000000E+04 0.99999969 14.62283452 1.51910060 0.12891002E+00 0.11500000E+04 0.99999967 14.49655481 1.51911059 0.93104762E-01 0.12000000E+04 0.99999966 14.37026219 1.51911326 0.66633374E-01 0.12500000E+04 0.99999964 14.24395526 1.51910962 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910835 0.33589145E-01 0.13500000E+04 0.99999962 13.99129292 1.51910496 0.23771128E-01 0.14000000E+04 0.99999960 13.86493463 1.51910121 0.16830006E-01 0.14500000E+04 0.99999959 13.73855615 1.51910402 0.11939071E-01 0.15000000E+04 0.99999957 13.61215566 1.51911586 0.84968626E-02 0.15500000E+04 0.99999956 13.48573110 1.51912401 0.60728900E-02 0.16000000E+04 0.99999954 13.35928006 1.51912426 0.43625363E-02 0.16500000E+04 0.99999953 13.23279982 1.51912933 0.31518925E-02 0.17000000E+04 0.99999952 13.10628725 1.51913546 0.22914451E-02 0.17500000E+04 0.99999950 12.97973882 1.51914326 0.16769328E-02 0.18000000E+04 0.99999949 12.85315061 1.51915866 0.12356811E-02 0.18500000E+04 0.99999947 12.72651831 1.51918507 0.91698039E-03 0.19000000E+04 0.99999946 12.59983725 1.51921181 0.68536700E-03 0.19500000E+04 0.99999944 12.47310247 1.51923110 0.51596028E-03 0.20000000E+04 0.99999943 12.34630871 1.51925487 0.39123497E-03 0.20500000E+04 0.99999942 12.21945052 1.51928415 0.29879168E-03 0.21000000E+04 0.99999940 12.09252226 1.51931401 0.22981301E-03 0.21500000E+04 0.99999939 11.96551817 1.51935210 0.17799612E-03 0.22000000E+04 0.99999937 11.83843234 1.51939976 0.13881052E-03 0.22500000E+04 0.99999936 11.71125883 1.51944910 0.10898060E-03 0.23000000E+04 0.99999935 11.58399156 1.51949017 0.86124801E-04 0.23500000E+04 0.99999933 11.45662445 1.51953185 0.68500108E-04 0.24000000E+04 0.99999932 11.32915132 1.51958080 0.54823680E-04 0.24500000E+04 0.99999930 11.20156594 1.51962888 0.44145510E-04 0.25000000E+04 0.99999929 11.07386208 1.51968280 0.35757874E-04 0.25500000E+04 0.99999927 10.94603345 1.51974501 0.29130459E-04 0.26000000E+04 0.99999926 10.81807380 1.51980890 0.23863622E-04 0.26500000E+04 0.99999925 10.68997691 1.51986420 0.19654241E-04 0.27000000E+04 0.99999923 10.56173671 1.51991728 0.16272027E-04 0.27500000E+04 0.99999922 10.43334731 1.51997824 0.13539843E-04 0.28000000E+04 0.99999920 10.30480311 1.52004031 0.11321410E-04 0.28500000E+04 0.99999919 10.17609893 1.52010546 0.95111509E-05 0.29000000E+04 0.99999917 10.04723018 1.52018059 0.80268353E-05 0.29500000E+04 0.99999916 9.91819300 1.52025774 0.68038788E-05 0.30000000E+04 0.99999915 9.78898448 1.52032956 0.57921038E-05 0.30500000E+04 0.99999913 9.65960291 1.52039834 0.49512416E-05 0.31000000E+04 0.99999912 9.53004804 1.52047756 0.42494689E-05 0.31500000E+04 0.99999910 9.40032140 1.52056401 0.36613731E-05 0.32000000E+04 0.99999909 9.27042661 1.52065499 0.31665809E-05 0.32500000E+04 0.99999907 9.14036978 1.52076113 0.27486863E-05 0.33000000E+04 0.99999906 9.01015991 1.52087700 0.23944029E-05 0.33500000E+04 0.99999904 8.87980933 1.52099622 0.20929090E-05 0.34000000E+04 0.99999903 8.74933420 1.52112194 0.18353629E-05 0.34500000E+04 0.99999902 8.61875501 1.52126919 0.16145464E-05 0.35000000E+04 0.99999900 8.48809708 1.52144175 0.14245775E-05 0.35500000E+04 0.99999899 8.35739119 1.52163661 0.12604154E-05 0.36000000E+04 0.99999897 8.22667409 1.52186561 0.11185661E-05 0.36500000E+04 0.99999896 8.09598912 1.52213272 0.99544962E-06 0.37000000E+04 0.99999894 7.96538680 1.52243216 0.88825471E-06 0.37500000E+04 0.99999892 7.83492542 1.52277239 0.79462461E-06 0.38000000E+04 0.99999891 7.70467158 1.52316966 0.71260547E-06 0.38500000E+04 0.99999889 7.57470078 1.52363762 0.64058108E-06 0.39000000E+04 0.99999887 7.44509784 1.52417515 0.57719803E-06 0.39500000E+04 0.99999885 7.31595741 1.52479424 0.52109719E-06 0.40000000E+04 0.99999883 7.18738425 1.52550647 0.47169957E-06 0.40500000E+04 0.99999880 7.05949358 1.52630770 0.42792982E-06 0.41000000E+04 0.99999875 6.93241116 1.52720433 0.38903185E-06 0.41500000E+04 0.99999869 6.80627343 1.52821084 0.35434531E-06 0.42000000E+04 0.99999860 6.68122737 1.52933818 0.32331197E-06 0.42500000E+04 0.99999846 6.55743028 1.53058301 0.29548898E-06 0.43000000E+04 0.99999826 6.43504946 1.53194268 0.27054115E-06 0.43500000E+04 0.99999797 6.31426163 1.53342065 0.24800450E-06 0.44000000E+04 0.99999754 6.19525232 1.53500373 0.22801120E-06 0.44500000E+04 0.99999692 6.07821509 1.53667785 0.21007378E-06 0.45000000E+04 0.99999606 5.96335052 1.53844051 0.19389899E-06 0.45500000E+04 0.99999487 5.85086524 1.54028308 0.17922890E-06 0.46000000E+04 0.99999326 5.74097063 1.54218724 0.16587026E-06 0.46500000E+04 0.99999112 5.63388156 1.54412827 0.15368961E-06 0.47000000E+04 0.99998832 5.52981495 1.54609002 0.14258644E-06 0.47500000E+04 0.99998472 5.42898823 1.54804866 0.13246957E-06 0.48000000E+04 0.99998018 5.33161782 1.54997557 0.12325112E-06 0.48500000E+04 0.99997455 5.23791745 1.55185395 0.11485090E-06 0.49000000E+04 0.99996766 5.14809654 1.55366891 0.10719606E-06 0.49500000E+04 0.99995937 5.06235854 1.55539897 0.10021420E-06 0.50000000E+04 0.99994957 4.98089935 1.55701964 0.93625528E-07 0.50500000E+04 0.99993813 4.90390576 1.55851190 0.87772039E-07 0.51000000E+04 0.99992499 4.83155405 1.55985964 0.82378485E-07 0.51500000E+04 0.99991009 4.76400876 1.56104266 0.77393579E-07 0.52000000E+04 0.99989346 4.70142147 1.56205097 0.72780390E-07 0.52500000E+04 0.99987511 4.64392976 1.56288322 0.68506454E-07 0.53000000E+04 0.99985513 4.59165636 1.56353692 0.64536083E-07 0.53500000E+04 0.99983364 4.54470834 1.56401003 0.60832658E-07 0.54000000E+04 0.99981078 4.50317643 1.56430382 0.57365934E-07 0.54500000E+04 0.99978672 4.46713463 1.56442370 0.54120777E-07 0.55000000E+04 0.99976167 4.43663984 1.56437138 0.51093139E-07 0.55500000E+04 0.99973581 4.41173188 1.56415011 0.48097061E-07 0.56000000E+04 0.99970937 4.39243350 1.56376862 0.45513147E-07 0.56500000E+04 0.99968255 4.37875076 1.56323511 0.43138235E-07 0.57000000E+04 0.99965554 4.37067344 1.56255835 0.40958364E-07 0.57500000E+04 0.99962856 4.36817558 1.56175198 0.38966022E-07 0.58000000E+04 0.99960176 4.37121615 1.56083475 0.37102674E-07 0.58500000E+04 0.99957534 4.37973975 1.55982545 0.35334942E-07 0.59000000E+04 0.99954944 4.39367743 1.55873946 0.33722755E-07 0.59500000E+04 0.99952422 4.41294751 1.55759043 0.32184165E-07 0.60000000E+04 0.99949982 4.43745661 1.55638565 0.30599237E-07 0.60500000E+04 0.99947639 4.46710067 1.55512649 0.29170113E-07 0.61000000E+04 0.99945406 4.50176601 1.55381548 0.27884014E-07 0.61500000E+04 0.99943297 4.54133037 1.55246173 0.26422571E-07 0.62000000E+04 0.99941323 4.58566391 1.55108136 0.25035787E-07 0.62500000E+04 0.99939496 4.63463016 1.54969301 0.24295961E-07 0.63000000E+04 0.99937821 4.68808694 1.54831401 0.23064529E-07 0.63500000E+04 0.99936304 4.74588730 1.54695409 0.21661764E-07 0.64000000E+04 0.99934945 4.80788046 1.54561261 0.21413187E-07 0.64500000E+04 0.99933741 4.87391275 1.54428501 0.21022603E-07 0.65000000E+04 0.99932686 4.94382841 1.54297122 0.19295003E-07 0.65500000E+04 0.99931768 5.01747024 1.54167996 0.18663632E-07 0.66000000E+04 0.99930977 5.09468021 1.54042644 0.19473857E-07 0.66500000E+04 0.99930299 5.17529998 1.53922556 0.18490486E-07 0.67000000E+04 0.99929718 5.25917148 1.53808381 0.16918788E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67500000E+04 0.99929223 5.34613761 1.53699387 0.18171865E-07 0.68000000E+04 0.99928799 5.43604297 1.53593989 0.18778429E-07 0.68500000E+04 0.99928434 5.52873452 1.53490951 0.16520289E-07 0.69000000E+04 0.99928116 5.62406218 1.53390331 0.17782152E-07 0.69500000E+04 0.99927836 5.72187925 1.53293548 0.22724237E-07 0.70000000E+04 0.99927581 5.82204261 1.53202546 0.23305236E-07 0.70500000E+04 0.99927340 5.92441293 1.53118560 0.25976425E-07 0.71000000E+04 0.99927099 6.02885477 1.53041147 0.47407096E-07 0.71500000E+04 0.99926842 6.13523671 1.52968331 0.83713697E-07 0.72000000E+04 0.99926545 6.24343146 1.52897900 0.12100922E-06 0.72500000E+04 0.99926180 6.35331588 1.52828815 0.17652962E-06 0.73000000E+04 0.99925708 6.46477090 1.52761765 0.28638913E-06 0.73500000E+04 0.99925077 6.57768134 1.52698542 0.45185510E-06 0.74000000E+04 0.99924221 6.69193553 1.52640733 0.64250874E-06 0.74500000E+04 0.99923050 6.80742504 1.52588524 0.85601978E-06 0.75000000E+04 0.99921452 6.92404418 1.52540458 0.11281120E-05 0.75500000E+04 0.99919284 7.04168968 1.52494466 0.14692740E-05 0.76000000E+04 0.99916370 7.16026021 1.52449345 0.18294330E-05 0.76500000E+04 0.99912493 7.27965611 1.52405492 0.21448267E-05 0.77000000E+04 0.99907395 7.39977898 1.52364437 0.23942322E-05 0.77500000E+04 0.99900772 7.52053151 1.52327608 0.25979162E-05 0.78000000E+04 0.99892271 7.64181733 1.52295171 0.27955221E-05 0.78500000E+04 0.99881495 7.76354103 1.52265724 0.30569535E-05 0.79000000E+04 0.99867998 7.88560831 1.52237223 0.35151755E-05 0.79500000E+04 0.99851291 8.00792625 1.52208480 0.43991218E-05 0.80000000E+04 0.99830844 8.13040359 1.52179966 0.60898256E-05 0.80500000E+04 0.99806091 8.25295108 1.52153363 0.92040155E-05 0.81000000E+04 0.99776431 8.37548180 1.52130267 0.14620617E-04 0.81500000E+04 0.99741239 8.49791147 1.52110993 0.23379398E-04 0.82000000E+04 0.99699859 8.62015862 1.52094240 0.36537316E-04 0.82500000E+04 0.99651617 8.74214482 1.52077960 0.55146923E-04 0.83000000E+04 0.99595817 8.86379479 1.52060879 0.80367057E-04 0.83500000E+04 0.99531748 8.98503651 1.52043400 0.11350652E-03 0.84000000E+04 0.99458685 9.10580139 1.52027177 0.15582780E-03 0.84500000E+04 0.99375893 9.22602437 1.52013816 0.20821749E-03 0.85000000E+04 0.99282632 9.34564403 1.52003674 0.27105985E-03 0.85500000E+04 0.99178160 9.46460264 1.51995524 0.34448663E-03 0.86000000E+04 0.99061728 9.58284607 1.51987384 0.42883125E-03 0.86500000E+04 0.98932587 9.70032353 1.51977992 0.52497922E-03 0.87000000E+04 0.98789977 9.81698712 1.51967770 0.63448994E-03 0.87500000E+04 0.98633120 9.93279123 1.51958421 0.75962696E-03 0.88000000E+04 0.98461215 10.04769183 1.51951593 0.90352573E-03 0.88500000E+04 0.98273427 10.16164587 1.51947667 0.10705440E-02 0.89000000E+04 0.98068885 10.27461080 1.51945447 0.12666068E-02 0.89500000E+04 0.97846680 10.38654445 1.51942969 0.14993356E-02 0.90000000E+04 0.97605875 10.49740531 1.51938948 0.17777915E-02 0.90500000E+04 0.97345518 10.60715321 1.51933755 0.21117911E-02 0.91000000E+04 0.97064662 10.71575031 1.51929038 0.25109308E-02 0.91500000E+04 0.96762394 10.82316238 1.51926363 0.29835581E-02 0.92000000E+04 0.96437855 10.92935994 1.51926024 0.35359071E-02 0.92500000E+04 0.96090263 11.03431936 1.51926805 0.41715893E-02 0.93000000E+04 0.95718930 11.13802341 1.51926823 0.48914012E-02 0.93500000E+04 0.95323265 11.24046136 1.51924961 0.56932679E-02 0.94000000E+04 0.94902767 11.34162843 1.51921813 0.65722897E-02 0.94500000E+04 0.94457011 11.44152474 1.51919259 0.75209578E-02 0.95000000E+04 0.93985625 11.54015380 1.51918967 0.85296738E-02 0.95500000E+04 0.93488260 11.63752090 1.51921125 0.95877172E-02 0.96000000E+04 0.92964568 11.73363142 1.51924254 0.10684547E-01 0.96500000E+04 0.92414176 11.82848954 1.51926174 0.11811083E-01 0.97000000E+04 0.91836678 11.92209726 1.51925541 0.12960686E-01 0.97500000E+04 0.91231628 12.01445394 1.51922904 0.14129607E-01 0.98000000E+04 0.90598550 12.10555641 1.51920321 0.15316740E-01 0.98500000E+04 0.89936950 12.19539950 1.51919773 0.16522858E-01 0.99000000E+04 0.89246348 12.28397714 1.51921737 0.17749470E-01 0.99500000E+04 0.88526312 12.37128373 1.51924935 0.18997536E-01 0.10000000E+05 0.87776504 12.45731593 1.51927279 0.20266472E-01 0.10050000E+05 0.86996723 12.54207456 1.51927396 0.21553620E-01 0.10100000E+05 0.86186957 12.62556655 1.51925704 0.22854172E-01 0.10150000E+05 0.85347422 12.70780679 1.51924079 0.24161533E-01 0.10200000E+05 0.84478596 12.78881941 1.51924279 0.25467858E-01 0.10250000E+05 0.83581231 12.86863861 1.51926522 0.26764553E-01 0.10300000E+05 0.82656349 12.94730859 1.51929338 0.28042758E-01 0.10350000E+05 0.81705216 13.02488260 1.51930658 0.29293663E-01 0.10400000E+05 0.80729294 13.10142128 1.51929386 0.30508814E-01 0.10450000E+05 0.79730191 13.17699018 1.51926408 0.31680605E-01 0.10500000E+05 0.78709593 13.25165703 1.51924120 0.32802797E-01 0.10550000E+05 0.77669207 13.32548879 1.51924610 0.33870925E-01 0.10600000E+05 0.76610702 13.39854900 1.51927991 0.34882481E-01 0.10650000E+05 0.75535677 13.47089554 1.51932252 0.35836594E-01 0.10700000E+05 0.74445629 13.54257905 1.51934599 0.36733374E-01 0.10750000E+05 0.73341947 13.61364208 1.51933341 0.37573171E-01 0.10800000E+05 0.72225922 13.68411905 1.51929200 0.38356079E-01 0.10850000E+05 0.71098761 13.75403683 1.51924978 0.39081917E-01 0.10900000E+05 0.69961616 13.82341589 1.51923592 0.39750546E-01 0.10950000E+05 0.68815620 13.89227194 1.51925978 0.40362160E-01 0.11000000E+05 0.67661917 13.96061772 1.51930505 0.40917425E-01 0.11050000E+05 0.66501685 14.02846483 1.51934147 0.41417341E-01 0.11100000E+05 0.65336161 14.09582537 1.51934469 0.41862892E-01 0.11150000E+05 0.64166647 14.16271332 1.51931304 0.42254868E-01 0.11200000E+05 0.62994509 14.22914535 1.51926925 0.42593973E-01 0.11250000E+05 0.61821168 14.29514115 1.51924389 0.42881149E-01 0.11300000E+05 0.60648080 14.36072328 1.51925296 0.43117772E-01 0.11350000E+05 0.59476715 14.42591643 1.51928768 0.43305498E-01 0.11400000E+05 0.58308531 14.49074646 1.51932223 0.43445841E-01 0.11450000E+05 0.57144950 14.55523916 1.51933158 0.43539766E-01 0.11500000E+05 0.55987335 14.61941892 1.51930897 0.43587514E-01 0.11550000E+05 0.54836966 14.68330753 1.51927137 0.43588884E-01 0.11600000E+05 0.53695031 14.74692309 1.51924647 0.43543879E-01 0.11650000E+05 0.52562613 14.81027925 1.51925100 0.43453341E-01 0.11700000E+05 0.51440687 14.87338466 1.51927909 0.43319188E-01 0.11750000E+05 0.50330118 14.93624288 1.51930833 0.43144135E-01 0.11800000E+05 0.49231674 14.99885258 1.51931591 0.42931135E-01 0.11850000E+05 0.48146029 15.06120808 1.51929480 0.42682828E-01 0.11900000E+05 0.47073780 15.12330015 1.51925971 0.42401221E-01 0.11950000E+05 0.46015463 15.18511696 1.51923626 0.42087723E-01 0.12000000E+05 0.44971559 15.24664510 1.51924051 0.41743512E-01 0.12050000E+05 0.43942510 15.30787056 1.51926731 0.41369977E-01 0.12100000E+05 0.42928726 15.36877943 1.51929580 0.40968953E-01 0.12150000E+05 0.41930584 15.42935856 1.51930427 0.40542656E-01 0.12200000E+05 0.40948428 15.48959577 1.51928436 0.40093444E-01 0.12250000E+05 0.39982567 15.54948000 1.51924793 0.39623482E-01 0.12300000E+05 0.39033266 15.60900113 1.51921941 0.39134455E-01 0.12350000E+05 0.38100745 15.66814981 1.51921728 0.38627465E-01 0.12400000E+05 0.37185174 15.72691709 1.51924095 0.38103221E-01 0.12450000E+05 0.36286674 15.78529417 1.51927297 0.37562398E-01 0.12500000E+05 0.35405315 15.84327205 1.51929076 0.37005971E-01 0.12550000E+05 0.34541128 15.90084142 1.51927992 0.36435396E-01 0.12600000E+05 0.33694104 15.95799249 1.51924454 0.35852614E-01 0.12650000E+05 0.32864202 16.01471505 1.51920616 0.35259810E-01 0.12700000E+05 0.32051357 16.07099854 1.51918819 0.34659052E-01 0.12750000E+05 0.31255483 16.12683223 1.51919969 0.34051938E-01 0.12800000E+05 0.30476477 16.18220535 1.51923132 0.33439395E-01 0.12850000E+05 0.29714214 16.23710719 1.51926179 0.32821664E-01 0.12900000E+05 0.28968553 16.29152715 1.51926942 0.32198509E-01 0.12950000E+05 0.28239328 16.34545464 1.51924626 0.31569665E-01 0.13000000E+05 0.27526350 16.39887894 1.51920533 0.30935372E-01 0.13050000E+05 0.26829408 16.45178902 1.51917095 0.30296706E-01 0.13100000E+05 0.26148268 16.50417339 1.51916138 0.29655518E-01 0.13150000E+05 0.25482680 16.55602010 1.51917924 0.29013990E-01 0.13200000E+05 0.24832378 16.60731684 1.51921133 0.28374028E-01 0.13250000E+05 0.24197089 16.65805117 1.51923516 0.27736810E-01 0.13300000E+05 0.23576533 16.70821092 1.51923306 0.27102688E-01 0.13350000E+05 0.22970432 16.75778454 1.51920581 0.26471497E-01 0.13400000E+05 0.22378506 16.80676155 1.51917071 0.25843070E-01 0.13450000E+05 0.21800480 16.85513281 1.51914720 0.25217641E-01 0.13500000E+05 0.21236078 16.90289068 1.51914574 0.24595965E-01 0.13550000E+05 0.20685026 16.95002904 1.51916358 0.23979150E-01 0.13600000E+05 0.20147053 16.99654310 1.51918573 0.23368377E-01 0.13650000E+05 0.19621886 17.04242920 1.51919488 0.22764658E-01 0.13700000E+05 0.19109253 17.08768446 1.51918557 0.22168691E-01 0.13750000E+05 0.18608884 17.13230651 1.51916642 0.21580856E-01 0.13800000E+05 0.18120511 17.17629333 1.51914946 0.21001299E-01 0.13850000E+05 0.17643868 17.21964307 1.51914204 0.20430068E-01 0.13900000E+05 0.17178695 17.26235410 1.51914494 0.19867255E-01 0.13950000E+05 0.16724733 17.30442507 1.51915173 0.19313095E-01 0.14000000E+05 0.16281733 17.34585507 1.51915362 0.18767973E-01 0.14050000E+05 0.15849448 17.38664380 1.51914899 0.18232345E-01 0.14100000E+05 0.15427635 17.42679171 1.51914409 0.17706624E-01 0.14150000E+05 0.15016060 17.46630011 1.51914346 0.17191089E-01 0.14200000E+05 0.14614489 17.50517115 1.51914583 0.16685871E-01 0.14250000E+05 0.14222697 17.54340777 1.51914776 0.16190996E-01 0.14300000E+05 0.13840460 17.58101354 1.51914536 0.15706471E-01 0.14350000E+05 0.13467560 17.61799242 1.51913610 0.15232333E-01 0.14400000E+05 0.13103783 17.65434855 1.51912421 0.14768641E-01 0.14450000E+05 0.12748918 17.69008605 1.51911904 0.14315428E-01 0.14500000E+05 0.12402758 17.72520881 1.51912437 0.13872664E-01 0.14550000E+05 0.12065100 17.75972048 1.51913512 0.13440271E-01 0.14600000E+05 0.11735745 17.79362445 1.51914435 0.13018174E-01 0.14650000E+05 0.11414497 17.82692397 1.51914684 0.12606340E-01 0.14700000E+05 0.11101168 17.85962232 1.51913932 0.12204784E-01 0.14750000E+05 0.10795573 17.89172301 1.51912493 0.11813522E-01 0.14800000E+05 0.10497534 17.92322989 1.51911336 0.11432526E-01 0.14850000E+05 0.10206875 17.95414726 1.51911099 0.11061693E-01 0.14900000E+05 0.09923431 17.98447991 1.51911625 0.10700856E-01 0.14950000E+05 0.09647036 18.01423300 1.51912567 0.10349813E-01 0.15000000E+05 0.09377532 18.04341208 1.51913581 0.10008369E-01 0.15050000E+05 0.09114765 18.07202293 1.51914062 0.96763792E-02 0.15100000E+05 0.08858582 18.10007153 1.51913612 0.93537580E-02 0.15150000E+05 0.08608837 18.12756402 1.51912570 0.90404431E-02 0.15200000E+05 0.08365387 18.15450674 1.51911513 0.87363416E-02 0.15250000E+05 0.08128092 18.18090626 1.51910767 0.84412931E-02 0.15300000E+05 0.07896816 18.20676945 1.51910724 0.81550718E-02 0.15350000E+05 0.07671427 18.23210347 1.51911651 0.78774210E-02 0.15400000E+05 0.07451795 18.25691580 1.51912998 0.76080953E-02 0.15450000E+05 0.07237795 18.28121422 1.51913784 0.73468902E-02 0.15500000E+05 0.07029305 18.30500668 1.51913591 0.70936518E-02 0.15550000E+05 0.06826203 18.32830129 1.51912625 0.68482619E-02 0.15600000E+05 0.06628372 18.35110621 1.51911310 0.66106019E-02 0.15650000E+05 0.06435696 18.37342962 1.51910413 0.63805124E-02 0.15700000E+05 0.06248061 18.39527965 1.51910656 0.61577761E-02 0.15750000E+05 0.06065357 18.41666441 1.51911770 0.59421420E-02 0.15800000E+05 0.05887473 18.43759200 1.51912767 0.57333718E-02 0.15850000E+05 0.05714304 18.45807048 1.51913085 0.55312766E-02 0.15900000E+05 0.05545743 18.47810791 1.51912772 0.53357190E-02 0.15950000E+05 0.05381687 18.49771239 1.51912040 0.51465885E-02 0.16000000E+05 0.05222037 18.51689202 1.51911356 0.49637689E-02 0.16050000E+05 0.05066692 18.53565490 1.51911277 0.47871165E-02 0.16100000E+05 0.04915555 18.55400912 1.51911635 0.46164525E-02 0.16150000E+05 0.04768532 18.57196277 1.51911783 0.44515728E-02 0.16200000E+05 0.04625527 18.58952386 1.51911646 0.42922717E-02 0.16250000E+05 0.04486449 18.60670035 1.51911630 0.41383703E-02 0.16300000E+05 0.04351207 18.62350012 1.51911845 0.39897297E-02 0.16350000E+05 0.04219712 18.63993096 1.51912175 0.38462384E-02 0.16400000E+05 0.04091876 18.65600057 1.51912560 0.37077813E-02 0.16450000E+05 0.03967613 18.67171655 1.51912582 0.35742164E-02 0.16500000E+05 0.03846839 18.68708638 1.51911782 0.34453761E-02 0.16550000E+05 0.03729470 18.70211743 1.51910658 0.33210855E-02 0.16600000E+05 0.03615424 18.71681689 1.51910248 0.32011788E-02 0.16650000E+05 0.03504620 18.73119184 1.51910873 0.30855043E-02 0.16700000E+05 0.03396980 18.74524912 1.51912071 0.29739231E-02 0.16750000E+05 0.03292425 18.75899545 1.51913220 0.28663093E-02 0.16800000E+05 0.03190879 18.77243730 1.51913541 0.27625465E-02 0.16850000E+05 0.03092266 18.78558100 1.51912478 0.26625180E-02 0.16900000E+05 0.02996514 18.79843267 1.51910733 0.25660949E-02 0.16950000E+05 0.02903549 18.81099831 1.51909755 0.24731337E-02 0.17000000E+05 0.02813301 18.82328373 1.51910145 0.23834878E-02 0.17050000E+05 0.02725699 18.83529463 1.51911427 0.22970257E-02 0.17100000E+05 0.02640676 18.84703657 1.51912851 0.22136424E-02 0.17150000E+05 0.02558165 18.85851497 1.51913573 0.21332562E-02 0.17200000E+05 0.02478099 18.86973512 1.51912925 0.20557919E-02 0.17250000E+05 0.02400415 18.88070219 1.51911407 0.19811614E-02 0.17300000E+05 0.02325049 18.89142119 1.51910358 0.19092556E-02 0.17350000E+05 0.02251940 18.90189705 1.51910356 0.18399530E-02 0.17400000E+05 0.02181027 18.91213458 1.51911034 0.17731387E-02 0.17450000E+05 0.02112251 18.92213851 1.51911972 0.17087203E-02 0.17500000E+05 0.02045554 18.93191348 1.51912729 0.16466297E-02 0.17550000E+05 0.01980880 18.94146407 1.51912711 0.15868115E-02 0.17600000E+05 0.01918172 18.95079478 1.51911996 0.15292086E-02 0.17650000E+05 0.01857378 18.95991002 1.51911389 0.14737517E-02 0.17700000E+05 0.01798443 18.96881414 1.51911175 0.14203569E-02 0.17750000E+05 0.01741317 18.97751140 1.51911106 0.13689312E-02 0.17800000E+05 0.01685947 18.98600596 1.51911301 0.13193826E-02 0.17850000E+05 0.01632286 18.99430192 1.51911877 0.12716332E-02 0.17900000E+05 0.01580284 19.00240330 1.51912325 0.12256267E-02 0.17950000E+05 0.01529895 19.01031401 1.51912261 0.11813257E-02 0.18000000E+05 0.01481072 19.01803790 1.51911996 0.11386980E-02 0.18050000E+05 0.01433769 19.02557873 1.51911688 0.10976992E-02 0.18100000E+05 0.01387945 19.03294013 1.51911268 0.10582617E-02 0.18150000E+05 0.01343554 19.04012567 1.51911197 0.10202984E-02 0.18200000E+05 0.01300556 19.04713882 1.51911790 0.98371973E-03 0.18250000E+05 0.01258910 19.05398297 1.51912406 0.94845385E-03 0.18300000E+05 0.01218576 19.06066144 1.51912364 0.91445639E-03 0.18350000E+05 0.01179516 19.06717748 1.51911917 0.88170428E-03 0.18400000E+05 0.01141690 19.07353432 1.51911499 0.85017919E-03 0.18450000E+05 0.01105064 19.07973511 1.51911224 0.81985228E-03 0.18500000E+05 0.01069600 19.08578300 1.51911479 0.79067865E-03 0.18550000E+05 0.01035264 19.09168106 1.51912358 0.76260116E-03 0.18600000E+05 0.01002022 19.09743231 1.51912967 0.73555892E-03 0.18650000E+05 0.00969841 19.10303974 1.51912573 0.70949563E-03 0.18700000E+05 0.00938688 19.10850628 1.51911675 0.68436519E-03 0.18750000E+05 0.00908533 19.11383487 1.51911083 0.66013349E-03 0.18800000E+05 0.00879345 19.11902836 1.51911006 0.63677637E-03 0.18850000E+05 0.00851093 19.12408959 1.51911596 0.61427505E-03 0.18900000E+05 0.00823750 19.12902132 1.51912763 0.59261048E-03 0.18950000E+05 0.00797287 19.13382624 1.51913519 0.57175868E-03 0.19000000E+05 0.00771677 19.13850699 1.51913105 0.55168845E-03 0.19050000E+05 0.00746893 19.14306611 1.51912038 0.53236261E-03 0.19100000E+05 0.00722910 19.14750611 1.51911191 0.51374210E-03 0.19150000E+05 0.00699702 19.15182941 1.51910822 0.49579053E-03 0.19200000E+05 0.00677245 19.15603840 1.51911167 0.47847684E-03 0.19250000E+05 0.00655515 19.16013534 1.51912399 0.46177563E-03 0.19300000E+05 0.00634490 19.16412244 1.51913681 0.44566659E-03 0.19350000E+05 0.00614147 19.16800179 1.51913965 0.43013434E-03 0.19400000E+05 0.00594465 19.17177540 1.51913256 0.41516753E-03 0.19450000E+05 0.00575422 19.17544520 1.51912100 0.40075615E-03 0.19500000E+05 0.00556998 19.17901300 1.51910886 0.38688734E-03 0.19550000E+05 0.00539173 19.18248057 1.51910354 0.37354233E-03 0.19600000E+05 0.00521928 19.18584960 1.51911348 0.36069626E-03 0.19650000E+05 0.00505244 19.18912171 1.51913327 0.34832058E-03 0.19700000E+05 0.00489103 19.19229848 1.51914767 0.33638657E-03 0.19750000E+05 0.00473489 19.19538143 1.51914855 0.32486896E-03 0.19800000E+05 0.00458383 19.19837207 1.51913616 0.31374920E-03 0.19850000E+05 0.00443769 19.20127186 1.51911519 0.30301702E-03 0.19900000E+05 0.00429632 19.20408224 1.51909846 0.29266840E-03 0.19950000E+05 0.00415956 19.20680465 1.51910169 0.28270023E-03 0.20000000E+05 0.00402726 19.20944055 1.51912446 0.27310489E-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 -0.003832 2.42067 2 0.1554312 -0.018762 1.87776 3 0.1597487 -0.021135 1.35834 4 0.1640662 -0.012093 0.85246 5 0.1683837 0.001588 0.35078 6 0.1727013 0.011619 -0.15089 7 0.1770188 0.012904 -0.64836 8 0.1813363 0.006092 -1.13136 9 0.1856539 -0.003388 -1.59170 10 0.1899714 -0.009073 -2.02995 11 0.1942889 -0.007611 -2.45469 12 0.1986065 -0.000781 -2.87647 13 0.2029240 0.005945 2.98293 14 0.2072415 0.007422 2.56237 15 0.2115591 0.002769 2.15606 16 0.2158766 -0.003792 1.76978 17 0.2201941 -0.006350 1.39843 18 0.2245117 -0.002599 1.03090 19 0.2288292 0.003704 0.66023 20 0.2331467 0.006095 0.29075 21 0.2374643 0.002002 -0.06612 22 0.2417818 -0.004157 -0.40509 23 0.2460993 -0.005464 -0.73300 24 0.2504169 -0.000382 -1.06135 25 0.2547344 0.005059 -1.39372 26 0.2590519 0.004213 -1.72110 27 0.2633695 -0.001855 -2.03293 28 0.2676870 -0.005360 -2.33080 29 0.2720045 -0.001708 -2.62640 30 0.2763221 0.004216 -2.92731 31 0.2806396 0.004343 3.05627 32 0.2849571 -0.001490 2.77026 33 0.2892746 -0.005062 2.49851 34 0.2935922 -0.001310 2.22915 35 0.2979097 0.004221 1.95363 36 0.3022272 0.003331 1.67900 37 0.3065448 -0.002615 1.41808 38 0.3108623 -0.004582 1.17011 39 0.3151798 0.000380 0.92173 40 0.3194974 0.004473 0.66630 41 0.3238149 0.001305 0.41441 42 0.3281324 -0.003952 0.17771 43 0.3324500 -0.002814 -0.04980 44 0.3367675 0.002745 -0.28266 45 0.3410850 0.003526 -0.52130 46 0.3454026 -0.001651 -0.75052 47 0.3497201 -0.004004 -0.96466 48 0.3540376 0.000338 -1.17734 49 0.3583552 0.003783 -1.39947 50 0.3626727 0.000418 -1.62050 51 0.3669902 -0.003772 -1.82583 52 0.3713078 -0.001484 -2.02256 53 0.3756253 0.003043 -2.22782 54 0.3799428 0.001719 -2.43916 55 0.3842604 -0.002905 -2.63756 56 0.3885779 -0.002419 -2.82194 57 0.3928954 0.002116 -3.01161 58 0.3972129 0.002312 3.07103 59 0.4015305 -0.002004 2.87956 60 0.4058480 -0.002679 2.70577 61 0.4101655 0.001412 2.53011 62 0.4144831 0.002449 2.34019 63 0.4188006 -0.001406 2.15564 64 0.4231181 -0.002711 1.99151 65 0.4274357 0.000842 1.82820 66 0.4317532 0.002207 1.64765 67 0.4360707 -0.001166 1.46983 68 0.4403883 -0.002556 1.31513 69 0.4447058 0.000656 1.16256 70 0.4490233 0.002021 0.98911 71 0.4533409 -0.000995 0.81743 72 0.4576584 -0.002171 0.67263 73 0.4619759 0.000800 0.52939 74 0.4662935 0.001879 0.36043 75 0.4706110 -0.000887 0.19489 76 0.4749285 -0.001617 0.06111 77 0.4792461 0.001167 -0.07501 78 0.4835636 0.001731 -0.24323 79 0.4878811 -0.000837 -0.40194 80 0.4921987 -0.000985 -0.52313 81 0.4965162 0.001562 -0.65571 82 0.5008337 0.001517 -0.82679 83 0.5051512 -0.000661 -0.97481 84 0.5094688 -0.000020 -1.08130 85 0.5137863 0.002279 -1.21612 86 0.5181038 0.001775 -1.39109 87 0.5224214 0.000333 -1.51852 88 0.5267389 0.001795 -1.60692 89 0.5310564 0.003710 -1.74940 90 0.5353740 0.003001 -1.92118 91 0.5396915 0.002502 -2.01502 92 0.5440090 0.004359 -2.09261 93 0.5483266 0.005572 -2.26785 ******************************************************************************** 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 0.9926118E+00 0.6867099E-02 0.3880458E+00 1 0.1331189E-06 0.1495949E-01 0.2023097E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3701913E-05 0 26 1 0 0.4517970E-04 0 31 1 1 0.3532174E-04 0 13 3 -3 0.1632526E-06 0 17 3 -2 0.2156926E-05 0 22 3 -1 0.1745870E-04 0 27 3 0 0.2309595E-04 0 32 3 1 0.2388647E-03 0 36 3 2 0.1692974E-03 0 40 3 3 0.2244585E-04 0 7 5 -5 0.7734039E-08 0 10 5 -4 0.2028115E-07 0 14 5 -3 0.1336290E-06 0 18 5 -2 0.6555074E-06 0 23 5 -1 0.2569576E-05 0 28 5 0 0.5909045E-04 0 33 5 1 0.3074865E-03 0 37 5 2 0.3263303E-02 0 41 5 3 0.2509107E-02 0 44 5 4 0.3317067E-03 0 47 5 5 0.9796993E-04 0 3 7 -7 0.1387808E-10 0 5 7 -6 0.8904358E-10 0 8 7 -5 0.1405551E-08 0 11 7 -4 0.3284247E-08 0 15 7 -3 0.3352573E-06 0 19 7 -2 0.7388714E-07 0 24 7 -1 0.1711686E-04 0 29 7 0 0.6378040E-04 0 34 7 1 0.4933026E-02 0 38 7 2 0.3191670E-01 0 42 7 3 0.8871490E+00 0 45 7 4 0.5643479E-01 0 48 7 5 0.4807843E-02 0 50 7 6 0.1557393E-03 0 52 7 7 0.3683402E-05 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 0.3203264E-08 1 26 1 0 0.6332692E-07 1 31 1 1 0.5589681E-07 1 13 3 -3 0.4666470E-12 1 17 3 -2 0.4262822E-18 1 22 3 -1 0.2862228E-17 1 27 3 0 0.9991851E-10 1 32 3 1 0.1280036E-17 1 36 3 2 0.2695679E-17 1 40 3 3 0.1059151E-07 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.7602112E-16 1 0.4849087E-07 2 0.1442966E-05 3 0.1861262E-05 4 0.2465272E-06 5 0.7902336E-07 6 0.1121522E-07 7 0.8136354E-08 8 0.2597728E-08 9 0.1693456E-08 v, j, mj = 0 1 0 0 0.9663280E-08 1 0.1339425E-05 2 0.2697393E-04 3 0.1541590E-04 4 0.9518871E-06 5 0.3316305E-06 6 0.8850126E-07 7 0.4489319E-07 8 0.1795206E-07 9 0.5918728E-08 v, j, mj = 0 1 1 0 0.9600410E-15 1 0.9320487E-05 2 0.2112007E-04 3 0.3826999E-05 4 0.8704097E-06 5 0.1155645E-06 6 0.4249497E-07 7 0.2368065E-07 8 0.1828712E-08 9 0.1999629E-09 v, j, mj = 0 3 -3 0 0.2240420E-09 1 0.7154727E-09 2 0.1174766E-07 3 0.5328709E-07 4 0.6892587E-07 5 0.1105230E-07 6 0.9426940E-08 7 0.4534676E-08 8 0.3041924E-08 9 0.2966457E-09 v, j, mj = 0 3 -2 0 0.1292521E-15 1 0.3188518E-08 2 0.3237748E-06 3 0.1159734E-05 4 0.5579052E-06 5 0.3271495E-07 6 0.5263376E-07 7 0.2062178E-07 8 0.6304497E-08 9 0.4908379E-10 v, j, mj = 0 3 -1 0 0.1431649E-14 1 0.2875286E-06 2 0.5360892E-05 3 0.9168793E-05 4 0.2401135E-05 5 0.1690600E-06 6 0.5329838E-07 7 0.1422099E-07 8 0.3551875E-08 9 0.2238661E-09 v, j, mj = 0 3 0 0 0.7289095E-08 1 0.4152574E-07 2 0.8111289E-05 3 0.1156541E-04 4 0.2987264E-05 5 0.3289726E-06 6 0.4720594E-07 7 0.4608079E-08 8 0.2261951E-08 9 0.1166846E-09 v, j, mj = 0 3 1 0 0.2385846E-14 1 0.6048595E-04 2 0.1400059E-03 3 0.3448927E-04 4 0.3425894E-05 5 0.3905547E-06 6 0.3854858E-07 7 0.2681101E-07 8 0.1759825E-08 9 0.1356919E-10 v, j, mj = 0 3 2 0 0.1435250E-15 1 0.1209770E-03 2 0.3411849E-04 3 0.1015276E-04 4 0.2862459E-05 5 0.1108606E-05 6 0.5430573E-07 7 0.2153589E-07 8 0.2086819E-08 9 0.8785194E-10 v, j, mj = 0 3 3 0 0.5558404E-05 1 0.2205759E-05 2 0.1138909E-04 3 0.2522086E-05 4 0.3446057E-06 5 0.3666347E-06 6 0.5116723E-07 7 0.6532227E-08 8 0.1510922E-08 9 0.5584559E-10 v, j, mj = 0 5 -5 0 0.1604615E-16 1 0.2657444E-10 2 0.1479769E-09 3 0.5767963E-09 4 0.3271403E-09 5 0.8674748E-10 6 0.1961017E-08 7 0.4607787E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.6110692E-16 1 0.1504949E-08 2 0.2904361E-08 3 0.4629590E-08 4 0.2186887E-08 5 0.3266116E-08 6 0.3602579E-08 7 0.2186669E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.4734479E-08 1 0.1800785E-07 2 0.2540787E-07 3 0.2210976E-07 4 0.2423975E-07 5 0.1105434E-07 6 0.1749008E-07 7 0.1058490E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1936473E-15 1 0.2732808E-07 2 0.2036708E-06 3 0.3032586E-06 4 0.5830288E-07 5 0.2536209E-07 6 0.2612775E-07 7 0.1145718E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.8782620E-15 1 0.1261193E-05 2 0.3839569E-06 3 0.4089514E-06 4 0.1249274E-06 5 0.3271525E-06 6 0.5916642E-07 7 0.4227917E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.5033427E-07 1 0.5046711E-05 2 0.3835031E-04 3 0.1286071E-04 4 0.2594007E-05 5 0.1093696E-06 6 0.5313560E-07 7 0.2587018E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.8486904E-14 1 0.8055490E-04 2 0.1951112E-03 3 0.2811783E-04 4 0.3525296E-05 5 0.1356186E-06 6 0.1572126E-07 7 0.2598007E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1970028E-15 1 0.1929223E-02 2 0.1208977E-02 3 0.1191361E-03 4 0.4965679E-05 5 0.9715236E-06 6 0.2159344E-07 7 0.8304945E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.7566659E-03 1 0.7340169E-03 2 0.7560368E-03 3 0.2395026E-03 4 0.2262717E-04 5 0.2163625E-06 6 0.3109960E-07 7 0.1057245E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.2041105E-15 1 0.3363322E-04 2 0.1355275E-03 3 0.1378633E-03 4 0.2343908E-04 5 0.1186599E-05 6 0.5265079E-07 7 0.4398761E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1253625E-14 1 0.2588393E-05 2 0.1536866E-04 3 0.5725706E-04 4 0.2158835E-04 5 0.1119193E-05 6 0.3563116E-07 7 0.1263965E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1268257E-15 1 0.9258317E-13 2 0.6036502E-12 3 0.8887110E-12 4 0.1901209E-11 5 0.1039180E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3702075E-12 1 0.5457769E-12 2 0.3991031E-11 3 0.2474150E-11 4 0.1115910E-10 5 0.7050331E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2236088E-15 1 0.5781112E-10 2 0.4293225E-10 3 0.7208027E-10 4 0.6263788E-09 5 0.6063483E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2150174E-16 1 0.1196161E-08 2 0.1197501E-08 3 0.2730107E-09 4 0.2195163E-09 5 0.3980582E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.6169243E-07 1 0.4150293E-07 2 0.1422928E-06 3 0.1080305E-07 4 0.6150355E-07 5 0.1746255E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1101673E-17 1 0.1138021E-07 2 0.3413824E-07 3 0.1429910E-07 4 0.1221808E-07 5 0.1851504E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5240813E-16 1 0.4141167E-05 2 0.1001435E-04 3 0.1172558E-05 4 0.1654885E-05 5 0.1338995E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1457660E-06 1 0.2479203E-04 2 0.3252954E-04 3 0.5830246E-05 4 0.4583371E-06 5 0.2448423E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7102005E-16 1 0.3414060E-02 2 0.1433005E-02 3 0.8004557E-04 4 0.5857787E-05 5 0.5728014E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.5319402E-17 1 0.2348608E-01 2 0.8044524E-02 3 0.3804361E-03 4 0.5604974E-05 5 0.5999188E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3951382E+00 1 0.4333497E+00 2 0.5703820E-01 3 0.1602513E-02 4 0.2016507E-04 5 0.2102558E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1087191E-16 1 0.3609235E-01 2 0.1915203E-01 3 0.1177146E-02 4 0.1314748E-04 5 0.1060943E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1148868E-15 1 0.1442800E-02 2 0.2956755E-02 3 0.3948426E-03 4 0.1318483E-04 5 0.2611911E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2778167E-06 1 0.1025917E-04 2 0.1085736E-03 3 0.3502091E-04 4 0.1310627E-05 5 0.2971452E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.5400147E-17 1 0.4205521E-06 2 0.1635629E-05 3 0.1174549E-05 4 0.3046662E-06 5 0.1480058E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1016639E-17 1 0.3300784E-09 2 0.2097486E-08 3 0.7757000E-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 0.6128903E-09 1 0.5430931E-07 2 0.5864015E-08 3 0.2540709E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3395898E-16 1 0.3440963E-07 2 0.1285342E-07 3 0.8633751E-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 0.4666470E-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 3 -2 0 0.4262822E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2862228E-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 0.9991851E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1280036E-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 0.2695679E-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 0.1059151E-07 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 = 0.9926119 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.388046 average diffraction energy (ev) = 0.006867 the reaction probability = 0.7388054D-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 0.1002598E+01 0.9494450E-02 0.3855940E+00 1 0.8041235E-06 0.2027699E-01 0.6431619E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2167394E-04 0 26 1 0 0.2184685E-03 0 31 1 1 0.1431124E-03 0 13 3 -3 0.1361905E-05 0 17 3 -2 0.1799450E-04 0 22 3 -1 0.1212882E-03 0 27 3 0 0.1412717E-03 0 32 3 1 0.8758737E-03 0 36 3 2 0.7058104E-03 0 40 3 3 0.8703985E-04 0 7 5 -5 0.1183585E-07 0 10 5 -4 0.5630626E-07 0 14 5 -3 0.7733639E-06 0 18 5 -2 0.5920226E-05 0 23 5 -1 0.1610740E-04 0 28 5 0 0.3515974E-03 0 33 5 1 0.1669430E-02 0 37 5 2 0.8181893E-02 0 41 5 3 0.6137776E-02 0 44 5 4 0.7654472E-03 0 47 5 5 0.2590408E-03 0 3 7 -7 0.6662146E-10 0 5 7 -6 0.3774780E-09 0 8 7 -5 0.2419473E-08 0 11 7 -4 0.7323468E-08 0 15 7 -3 0.3817782E-06 0 19 7 -2 0.2444992E-06 0 24 7 -1 0.4420329E-04 0 29 7 0 0.3167023E-03 0 34 7 1 0.1015080E-01 0 38 7 2 0.6915744E-01 0 42 7 3 0.7679712E+00 0 45 7 4 0.1186828E+00 0 48 7 5 0.1544444E-01 0 50 7 6 0.1075611E-02 0 52 7 7 0.2776436E-04 0 1 9 -9 0.3490980E-13 0 2 9 -8 0.3419205E-13 0 4 9 -7 0.2203127E-12 0 6 9 -6 0.1273871E-11 0 9 9 -5 0.4458191E-10 0 12 9 -4 0.8156310E-09 0 16 9 -3 0.2506136E-07 0 20 9 -2 0.4909940E-09 0 25 9 -1 0.3622528E-07 0 30 9 0 0.3429194E-07 0 35 9 1 0.1578196E-06 0 39 9 2 0.1133673E-05 0 43 9 3 0.1581922E-05 0 46 9 4 0.3082521E-06 0 49 9 5 0.4830735E-06 0 51 9 6 0.4127984E-07 0 53 9 7 0.4320059E-06 0 54 9 8 0.2191739E-08 0 55 9 9 0.6895879E-08 1 21 1 -1 0.1318735E-07 1 26 1 0 0.4787452E-07 1 31 1 1 0.1840790E-06 1 13 3 -3 0.2425596E-09 1 17 3 -2 0.5103776E-09 1 22 3 -1 0.1301175E-08 1 27 3 0 0.1607281E-07 1 32 3 1 0.2278913E-06 1 36 3 2 0.2053816E-06 1 40 3 3 0.1075828E-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 0.1735029E-16 1 0.2598687E-06 2 0.1022855E-04 3 0.1042432E-04 4 0.5826015E-06 5 0.1456717E-06 6 0.1399835E-07 7 0.1392520E-07 8 0.2864453E-08 9 0.2148953E-08 v, j, mj = 0 1 0 0 0.3393342E-07 1 0.1135196E-04 2 0.1482163E-03 3 0.5735750E-04 4 0.8395834E-06 5 0.5434261E-06 6 0.6432324E-07 7 0.4674633E-07 8 0.9794156E-08 9 0.4946598E-08 v, j, mj = 0 1 1 0 0.1150184E-13 1 0.4764518E-04 2 0.8247400E-04 3 0.1041839E-04 4 0.2307976E-05 5 0.1560844E-06 6 0.6842060E-07 7 0.3998553E-07 8 0.2105523E-08 9 0.2823356E-09 v, j, mj = 0 3 -3 0 0.6439341E-09 1 0.2016449E-08 2 0.7583051E-07 3 0.5769886E-06 4 0.5779143E-06 5 0.9845418E-07 6 0.2246904E-07 7 0.3953738E-08 8 0.2449571E-08 9 0.1184933E-08 v, j, mj = 0 3 -2 0 0.1292294E-14 1 0.6999320E-08 2 0.3234097E-05 3 0.1073952E-04 4 0.3730725E-05 5 0.2275229E-06 6 0.3196685E-07 7 0.1913853E-07 8 0.3191852E-08 9 0.1338827E-08 v, j, mj = 0 3 -1 0 0.1775098E-13 1 0.1401426E-05 2 0.4637218E-04 3 0.6312748E-04 4 0.9697588E-05 5 0.4904651E-06 6 0.1739663E-06 7 0.1343759E-07 8 0.1068065E-07 9 0.9591297E-09 v, j, mj = 0 3 0 0 0.8504605E-08 1 0.1050446E-05 2 0.5706093E-04 3 0.7045959E-04 4 0.1173264E-04 5 0.8809964E-06 6 0.6873506E-07 7 0.6771596E-08 8 0.1825833E-08 9 0.1229372E-08 v, j, mj = 0 3 1 0 0.9978897E-14 1 0.3006459E-03 2 0.4897191E-03 3 0.7235416E-04 4 0.1209597E-04 5 0.9966488E-06 6 0.4411086E-07 7 0.1083110E-07 8 0.6703385E-08 9 0.2405049E-09 v, j, mj = 0 3 2 0 0.8278134E-15 1 0.5720786E-03 2 0.1003247E-03 3 0.2063771E-04 4 0.9142752E-05 5 0.3427105E-05 6 0.1831979E-06 7 0.1205085E-07 8 0.2734732E-08 9 0.1478081E-08 v, j, mj = 0 3 3 0 0.3498516E-04 1 0.2479375E-06 2 0.3851271E-04 3 0.1209303E-04 4 0.2319842E-06 5 0.7232936E-06 6 0.2207475E-06 7 0.2069848E-07 8 0.3919102E-08 9 0.3675285E-09 v, j, mj = 0 5 -5 0 0.4847469E-16 1 0.2199215E-10 2 0.4776135E-09 3 0.8931344E-09 4 0.1127282E-08 5 0.1156162E-08 6 0.7728598E-09 7 0.2689057E-08 8 0.4697752E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7309022E-15 1 0.3939971E-08 2 0.5570942E-08 3 0.1769587E-07 4 0.1151138E-07 5 0.5674682E-08 6 0.5589849E-08 7 0.5157379E-08 8 0.1166197E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2266135E-07 1 0.3577602E-07 2 0.1186766E-06 3 0.3213928E-06 4 0.2283000E-06 5 0.2233143E-07 6 0.1434034E-07 7 0.4676452E-08 8 0.5208892E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1246837E-14 1 0.6426648E-07 2 0.1776383E-05 3 0.3525022E-05 4 0.4625046E-06 5 0.5333774E-07 6 0.1738061E-07 7 0.1857599E-07 8 0.2756118E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1858546E-13 1 0.1549501E-05 2 0.3499513E-05 3 0.8997698E-05 4 0.1624824E-05 5 0.3705073E-06 6 0.5766769E-07 7 0.4385141E-08 8 0.3300830E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.4193697E-07 1 0.3044370E-04 2 0.2242504E-03 3 0.8725213E-04 4 0.9383432E-05 5 0.1768119E-06 6 0.1639459E-07 7 0.2786059E-07 8 0.4788510E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1698974E-12 1 0.4274910E-03 2 0.1052747E-02 3 0.1766552E-03 4 0.1233714E-04 5 0.1194975E-06 6 0.5682862E-07 7 0.9102581E-08 8 0.1347236E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1230622E-14 1 0.5308259E-02 2 0.2576676E-02 3 0.2774902E-03 4 0.1788618E-04 5 0.1537038E-05 6 0.3758074E-07 7 0.4262062E-08 8 0.2498666E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2283702E-02 1 0.1061334E-02 2 0.1795290E-02 3 0.8811740E-03 4 0.1134602E-03 5 0.2749964E-05 6 0.5081584E-07 7 0.1079497E-07 8 0.4751539E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1373556E-14 1 0.1577546E-03 2 0.2240674E-03 3 0.3044010E-03 4 0.7279106E-04 5 0.6350147E-05 6 0.5930803E-07 7 0.1977247E-07 8 0.3947900E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1571889E-13 1 0.1322867E-04 2 0.2001601E-04 3 0.1298095E-03 4 0.8605177E-04 5 0.9767774E-05 6 0.1549136E-06 7 0.6545031E-08 8 0.5660229E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1089438E-16 1 0.6683217E-12 2 0.1554041E-11 3 0.2629764E-11 4 0.8819401E-11 5 0.3480268E-10 6 0.1814724E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2895269E-12 1 0.3955320E-11 2 0.1354423E-10 3 0.1535789E-10 4 0.1932731E-10 5 0.2320256E-09 6 0.9297814E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.4269545E-15 1 0.2938250E-09 2 0.2382443E-09 3 0.2474699E-09 4 0.6336927E-09 5 0.7709543E-09 6 0.2352868E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2619288E-15 1 0.1091928E-08 2 0.1697921E-08 3 0.2106981E-08 4 0.5353603E-09 5 0.1736408E-08 6 0.1548702E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4223242E-07 1 0.3141430E-07 2 0.2079237E-06 3 0.3681845E-07 4 0.5229100E-07 5 0.8949267E-08 6 0.2149154E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2086996E-15 1 0.4645727E-07 2 0.1449914E-06 3 0.1726876E-07 4 0.2083111E-07 5 0.1261286E-07 6 0.2337841E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5021976E-15 1 0.1119458E-04 2 0.2733817E-04 3 0.3869450E-05 4 0.1744445E-05 5 0.5505093E-07 6 0.1598411E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2223730E-06 1 0.8677266E-04 2 0.1926749E-03 3 0.3558197E-04 4 0.1218312E-05 5 0.2068674E-06 6 0.2522860E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9129987E-14 1 0.6021143E-02 2 0.3779713E-02 3 0.3349032E-03 4 0.1492705E-04 5 0.6873447E-07 6 0.4353906E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2330388E-15 1 0.4943940E-01 2 0.1868028E-01 3 0.1010726E-02 4 0.2679739E-04 5 0.2279954E-06 6 0.9585851E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2955796E+00 1 0.4052327E+00 2 0.6364354E-01 3 0.3399575E-02 4 0.1150169E-03 5 0.7508352E-06 6 0.1120661E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3532385E-15 1 0.6417732E-01 2 0.4993850E-01 3 0.4472031E-02 4 0.9441261E-04 5 0.5848397E-06 6 0.4736661E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.7295533E-14 1 0.1355727E-02 2 0.1087509E-01 3 0.3079007E-02 4 0.1340647E-03 5 0.4926641E-06 6 0.6090869E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.3612017E-06 1 0.1828069E-04 2 0.5679135E-03 3 0.4557862E-03 4 0.3262446E-04 5 0.6132854E-06 6 0.3117059E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1572701E-14 1 0.1161753E-06 2 0.8682105E-05 3 0.1701386E-04 4 0.1792920E-05 5 0.9729487E-07 6 0.6200176E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1464109E-14 1 0.9552579E-14 2 0.2389312E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2721611E-16 1 0.1557671E-13 2 0.1858813E-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 0.2855350E-17 1 0.1518890E-12 2 0.6842085E-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 0.1490072E-12 1 0.9703602E-12 2 0.1545035E-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 -5 0 0.1515984E-15 1 0.1421115E-10 2 0.3037061E-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 -4 0 0.6643020E-17 1 0.9281886E-10 2 0.7228121E-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 -3 0 0.1264920E-08 1 0.1991153E-07 2 0.3884908E-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 0.6853648E-17 1 0.3037814E-09 2 0.1872126E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.6238445E-18 1 0.3433303E-07 2 0.1892249E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.5945514E-09 1 0.2812743E-07 2 0.5569959E-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 0.2501905E-16 1 0.1035634E-06 2 0.5425622E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.8364464E-17 1 0.1086734E-05 2 0.4693916E-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 3 0 0.8404676E-06 1 0.4789281E-06 2 0.2625268E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.6229190E-17 1 0.1372093E-06 2 0.1710428E-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 0.2833361E-16 1 0.4113534E-06 2 0.7172009E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1603023E-07 1 0.2254345E-07 2 0.2706161E-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 7 0 0.5520561E-16 1 0.4167225E-06 2 0.1528339E-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 8 0 0.5370788E-17 1 0.1881446E-08 2 0.3102925E-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 9 0 0.1851136E-08 1 0.3368508E-08 2 0.1676235E-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 0.1902968E-16 1 0.1178847E-08 2 0.1207377E-08 3 0.1719143E-08 4 0.9081987E-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 0.6552192E-09 1 0.1399956E-07 2 0.7595087E-08 3 0.1553361E-07 4 0.1009104E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.4267447E-17 1 0.1157095E-06 2 0.1495785E-07 3 0.3767675E-07 4 0.1573484E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.6531845E-11 1 0.2020170E-10 2 0.1555207E-09 3 0.6030534E-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 0.7136638E-17 1 0.1013625E-10 2 0.2845367E-09 3 0.2157046E-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 0.5199959E-17 1 0.4287143E-09 2 0.7183757E-09 3 0.1540851E-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 0.7597064E-09 1 0.5905097E-08 2 0.8374339E-08 3 0.1033669E-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 1 0 0.2046307E-16 1 0.1913821E-06 2 0.3341095E-07 3 0.3098308E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.5216628E-17 1 0.1173660E-06 2 0.8235754E-07 3 0.5658049E-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 0.1690888E-07 1 0.8491366E-07 2 0.4720838E-08 3 0.1039430E-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 = 1.0025987 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.385594 average diffraction energy (ev) = 0.009494 the reaction probability = -0.2598684D-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 0.9969190E+00 0.1261767E-01 0.3807704E+00 1 0.2501710E-04 0.1124694E-01 0.7855044E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1040087E-03 0 26 1 0 0.7902833E-03 0 31 1 1 0.3768172E-03 0 13 3 -3 0.7316303E-05 0 17 3 -2 0.9869413E-04 0 22 3 -1 0.5296372E-03 0 27 3 0 0.4694671E-03 0 32 3 1 0.2280535E-02 0 36 3 2 0.2007159E-02 0 40 3 3 0.2946545E-03 0 7 5 -5 0.2576620E-07 0 10 5 -4 0.4596125E-06 0 14 5 -3 0.7848256E-05 0 18 5 -2 0.5379926E-04 0 23 5 -1 0.1423195E-03 0 28 5 0 0.1485463E-02 0 33 5 1 0.5394784E-02 0 37 5 2 0.1479739E-01 0 41 5 3 0.1201311E-01 0 44 5 4 0.1845939E-02 0 47 5 5 0.4862710E-03 0 3 7 -7 0.2573054E-09 0 5 7 -6 0.1013864E-08 0 8 7 -5 0.5520150E-08 0 11 7 -4 0.2031494E-07 0 15 7 -3 0.7224898E-06 0 19 7 -2 0.1142642E-05 0 24 7 -1 0.1469769E-03 0 29 7 0 0.1333328E-02 0 34 7 1 0.1978676E-01 0 38 7 2 0.1190530E+00 0 42 7 3 0.5742636E+00 0 45 7 4 0.1851977E+00 0 48 7 5 0.4594995E-01 0 50 7 6 0.7446949E-02 0 52 7 7 0.5035175E-03 0 1 9 -9 0.7530523E-12 0 2 9 -8 0.1444695E-11 0 4 9 -7 0.5357692E-11 0 6 9 -6 0.2865274E-10 0 9 9 -5 0.4392711E-09 0 12 9 -4 0.4157393E-08 0 16 9 -3 0.1136556E-07 0 20 9 -2 0.5632965E-08 0 25 9 -1 0.1066083E-06 0 30 9 0 0.1981300E-06 0 35 9 1 0.1605906E-05 0 39 9 2 0.2047519E-05 0 43 9 3 0.3383463E-04 0 46 9 4 0.9492152E-05 0 49 9 5 0.1122576E-05 0 51 9 6 0.2834553E-06 0 53 9 7 0.5864501E-06 0 54 9 8 0.3179587E-07 0 55 9 9 0.2770181E-07 1 21 1 -1 0.3757447E-07 1 26 1 0 0.2820370E-06 1 31 1 1 0.2341806E-05 1 13 3 -3 0.1669042E-08 1 17 3 -2 0.3195583E-08 1 22 3 -1 0.1201334E-07 1 27 3 0 0.2137651E-07 1 32 3 1 0.5287178E-06 1 36 3 2 0.6371668E-05 1 40 3 3 0.1541640E-04 1 7 5 -5 0.5483473E-17 1 10 5 -4 0.4878866E-20 1 14 5 -3 0.3753277E-11 1 18 5 -2 0.9635938E-20 1 23 5 -1 0.4999453E-19 1 28 5 0 0.3832642E-12 1 33 5 1 0.1945121E-17 1 37 5 2 0.2209851E-18 1 41 5 3 0.6314796E-09 1 44 5 4 0.1848579E-18 1 47 5 5 0.3559486E-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 0.5370942E-14 1 0.1256363E-05 2 0.5388093E-04 3 0.4737128E-04 4 0.1204448E-05 5 0.2328506E-06 6 0.3219573E-07 7 0.2509269E-07 8 0.3420278E-08 9 0.2096849E-08 v, j, mj = 0 1 0 0 0.1344526E-06 1 0.5200045E-04 2 0.5612226E-03 3 0.1745711E-03 4 0.1558965E-05 5 0.6694774E-06 6 0.8073794E-07 7 0.3204193E-07 8 0.1054666E-07 9 0.2900454E-08 v, j, mj = 0 1 1 0 0.6327652E-13 1 0.1574752E-03 2 0.1988391E-03 3 0.1713338E-04 4 0.2803516E-05 5 0.4118304E-06 6 0.1271609E-06 7 0.1913362E-07 8 0.7101738E-08 9 0.8506735E-09 v, j, mj = 0 3 -3 0 0.1994810E-07 1 0.4579463E-07 2 0.3626485E-06 3 0.3947642E-05 4 0.2494390E-05 5 0.3907437E-06 6 0.3866776E-07 7 0.1314455E-07 8 0.2140441E-08 9 0.1182760E-08 v, j, mj = 0 3 -2 0 0.9208995E-14 1 0.1005605E-06 2 0.2392968E-04 3 0.6169159E-04 4 0.1228722E-04 5 0.6187114E-06 6 0.5025554E-07 7 0.9550090E-08 8 0.4977344E-08 9 0.1594670E-08 v, j, mj = 0 3 -1 0 0.1179230E-12 1 0.8278029E-05 2 0.2511265E-03 3 0.2520872E-03 4 0.1686221E-04 5 0.9894237E-06 6 0.2454581E-06 7 0.4130201E-07 8 0.4459311E-08 9 0.2622593E-08 v, j, mj = 0 3 0 0 0.1483186E-07 1 0.8560289E-05 2 0.2207622E-03 3 0.2200286E-03 4 0.1809784E-04 5 0.1847548E-05 6 0.1374995E-06 7 0.1279795E-07 8 0.3535280E-08 9 0.1909543E-08 v, j, mj = 0 3 1 0 0.1984699E-13 1 0.9725185E-03 2 0.1221735E-02 3 0.6930589E-04 4 0.1537847E-04 5 0.1354376E-05 6 0.2080741E-06 7 0.2945500E-07 8 0.4419556E-08 9 0.6053049E-09 v, j, mj = 0 3 2 0 0.5600214E-14 1 0.1755947E-02 2 0.1734531E-03 3 0.4515551E-04 4 0.2045562E-04 5 0.1077217E-04 6 0.1349613E-05 7 0.2072396E-07 8 0.4104806E-08 9 0.1650305E-08 v, j, mj = 0 3 3 0 0.1465184E-03 1 0.4799764E-05 2 0.1074329E-03 3 0.3161231E-04 4 0.2159842E-05 5 0.1693735E-05 6 0.3963313E-06 7 0.3823506E-07 8 0.2524665E-08 9 0.4580699E-09 v, j, mj = 0 5 -5 0 0.1659340E-14 1 0.1563713E-08 2 0.2569575E-08 3 0.4139864E-08 4 0.7204426E-08 5 0.5031024E-08 6 0.1918530E-08 7 0.1133353E-08 8 0.2205712E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.4110029E-14 1 0.3535734E-07 2 0.1922265E-07 3 0.2089791E-06 4 0.1469403E-06 5 0.3382483E-07 6 0.3556632E-08 7 0.6445978E-08 8 0.5285654E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1455744E-06 1 0.6083428E-07 2 0.1043422E-05 3 0.4278103E-05 4 0.2185240E-05 5 0.1124487E-06 6 0.1698938E-07 7 0.3199018E-08 8 0.2445107E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5101747E-14 1 0.1707570E-06 2 0.1434235E-04 3 0.3331523E-04 4 0.5705801E-05 5 0.2327402E-06 6 0.1172937E-07 7 0.1787193E-07 8 0.2778043E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.2087681E-12 1 0.4318796E-05 2 0.3401426E-04 3 0.9058518E-04 4 0.1270811E-04 5 0.6344671E-06 6 0.5425358E-07 7 0.3237703E-08 8 0.1205966E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1292035E-07 1 0.1537469E-03 2 0.9701710E-03 3 0.3342220E-03 4 0.2673540E-04 5 0.5131101E-06 6 0.4014699E-07 7 0.1709309E-07 8 0.4839276E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1511052E-11 1 0.1310238E-02 2 0.3599555E-02 3 0.4592461E-03 4 0.2451597E-04 5 0.1137957E-05 6 0.7548448E-07 7 0.8637447E-08 8 0.6562296E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2293992E-14 1 0.1095943E-01 2 0.3271382E-02 3 0.4725948E-03 4 0.8785068E-04 5 0.6015085E-05 6 0.1093442E-06 7 0.9646052E-08 8 0.2859006E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.5560958E-02 1 0.1068992E-02 2 0.3012844E-02 3 0.2090547E-02 4 0.2719450E-03 5 0.7707204E-05 6 0.8676777E-07 7 0.2372655E-07 8 0.7030164E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.4665306E-14 1 0.8564293E-03 2 0.2576785E-03 3 0.5056277E-03 4 0.1969218E-03 5 0.2836594E-04 6 0.8988214E-06 7 0.1410541E-07 8 0.2854934E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1532082E-12 1 0.6746037E-04 2 0.1118453E-03 3 0.1625497E-03 4 0.1230858E-03 5 0.2056325E-04 6 0.7436882E-06 7 0.2061309E-07 8 0.2255160E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.6586237E-16 1 0.1721270E-11 2 0.1022665E-10 3 0.2377855E-10 4 0.2474528E-10 5 0.2824379E-10 6 0.9909154E-10 7 0.6949831E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.8229977E-12 1 0.3136909E-10 2 0.1474634E-09 3 0.9526315E-10 4 0.1571063E-09 5 0.3213579E-09 6 0.1893297E-09 7 0.7115148E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3280405E-15 1 0.8095747E-09 2 0.4223277E-09 3 0.1428587E-08 4 0.1079025E-08 5 0.7660374E-09 6 0.9730379E-09 7 0.4155973E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5319845E-14 1 0.3993809E-08 2 0.2069835E-08 3 0.4890407E-08 4 0.4567186E-08 5 0.3823835E-08 6 0.9521631E-09 7 0.1770449E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1615803E-06 1 0.5317597E-07 2 0.3264132E-06 3 0.1414150E-06 4 0.2816710E-07 5 0.7790874E-08 6 0.3818679E-08 7 0.1287402E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2245609E-14 1 0.1298301E-06 2 0.7658947E-06 3 0.1784558E-06 4 0.4575381E-07 5 0.1685507E-07 6 0.5550751E-08 7 0.3022469E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1911012E-13 1 0.2904146E-04 2 0.9853809E-04 3 0.1727308E-04 4 0.2069561E-05 5 0.4863658E-07 6 0.5067117E-08 7 0.9778986E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4042494E-06 1 0.3020412E-03 2 0.8961823E-03 3 0.1316545E-03 4 0.2779915E-05 5 0.2341640E-06 6 0.2953563E-07 7 0.2243028E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2963376E-12 1 0.1071410E-01 2 0.8366175E-02 3 0.6746891E-03 4 0.3141748E-04 5 0.3309656E-06 6 0.4197030E-07 7 0.4404057E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2445173E-14 1 0.8993587E-01 2 0.2762192E-01 3 0.1395338E-02 4 0.9850913E-04 5 0.1318477E-05 6 0.3581649E-07 7 0.1015427E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2240387E+00 1 0.3045366E+00 2 0.3959429E-01 3 0.5706380E-02 4 0.3821711E-03 5 0.5183674E-05 6 0.1510117E-06 7 0.2388935E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.6943909E-14 1 0.9274658E-01 2 0.8370384E-01 3 0.8416284E-02 4 0.3267052E-03 5 0.4232991E-05 6 0.6629204E-07 7 0.4556837E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1619648E-12 1 0.2507998E-02 2 0.2949651E-01 3 0.1300562E-01 4 0.9284548E-03 5 0.1128755E-04 6 0.7848245E-07 7 0.4674866E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2246064E-06 1 0.1154600E-03 2 0.2854944E-02 3 0.3900661E-02 4 0.5648418E-03 5 0.1064204E-04 6 0.1718782E-06 7 0.4324201E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3987661E-13 1 0.1329332E-05 2 0.1109392E-03 3 0.3117240E-03 4 0.7705027E-04 5 0.2380105E-05 6 0.9203916E-07 7 0.2585089E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2330739E-13 1 0.1595512E-12 2 0.1231198E-12 3 0.4407158E-12 4 0.6358059E-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 0.2973360E-17 1 0.1914584E-12 2 0.3878310E-12 3 0.8644752E-12 4 0.9273013E-15 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 0.3226817E-16 1 0.7785829E-12 2 0.2634477E-11 3 0.1939212E-11 4 0.5387538E-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 0.4920889E-13 1 0.1554735E-10 2 0.6187908E-11 3 0.6858228E-11 4 0.1004486E-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 0.1648987E-15 1 0.8229741E-10 2 0.6140137E-10 3 0.2949722E-09 4 0.5999383E-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 0.4981523E-18 1 0.8501091E-09 2 0.9184024E-09 3 0.2385232E-08 4 0.3650003E-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 0.4492805E-08 1 0.3716491E-08 2 0.1812450E-08 3 0.1337537E-08 4 0.6276471E-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 0.1382878E-16 1 0.2611410E-09 2 0.1971000E-08 3 0.3385703E-08 4 0.1512142E-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 0.2206185E-17 1 0.6844333E-07 2 0.5390590E-08 3 0.3274378E-07 4 0.3056175E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3610433E-08 1 0.4251718E-07 2 0.3965818E-07 3 0.1122203E-06 4 0.1239273E-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 1 0 0.4472937E-16 1 0.1047486E-05 2 0.1960835E-06 3 0.3622596E-06 4 0.7744265E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2356506E-16 1 0.9221126E-06 2 0.7667206E-06 3 0.3585212E-06 4 0.1649357E-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 0.2046390E-04 1 0.1197468E-04 2 0.1033172E-05 3 0.3625966E-06 4 0.2811495E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.6348803E-17 1 0.7112175E-05 2 0.2305743E-05 3 0.7380873E-07 4 0.4253901E-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 0.5006290E-16 1 0.1595090E-06 2 0.6702755E-06 3 0.2927065E-06 4 0.8537257E-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 6 0 0.9362840E-09 1 0.4123088E-07 2 0.1996957E-07 3 0.2211820E-06 4 0.1365250E-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 0.1969514E-16 1 0.4091154E-06 2 0.1519850E-06 3 0.2529584E-07 4 0.5382962E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.9823948E-17 1 0.3877748E-08 2 0.1020280E-07 3 0.1766487E-07 4 0.5045358E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.4535966E-09 1 0.3854907E-08 2 0.8250657E-08 3 0.1511720E-07 4 0.2544149E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4381674E-15 1 0.4207351E-09 2 0.2029468E-07 3 0.2449643E-08 4 0.6383289E-08 5 0.8026121E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2370705E-08 1 0.1203003E-06 2 0.1002977E-06 3 0.1907276E-07 4 0.2035535E-07 5 0.1964022E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1771435E-14 1 0.1529670E-05 2 0.5567456E-06 3 0.2332147E-06 4 0.1512112E-07 5 0.7054683E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.8649909E-11 1 0.3300167E-10 2 0.1858865E-09 3 0.6576164E-09 4 0.7838872E-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 0.1914743E-16 1 0.3926387E-10 2 0.1189549E-09 3 0.2354939E-08 4 0.6824259E-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 0.4057810E-17 1 0.1409376E-08 2 0.5295908E-08 3 0.4398420E-08 4 0.9096363E-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 0.6014537E-09 1 0.2007948E-08 2 0.9410517E-08 3 0.8428483E-08 4 0.9281131E-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 0.2681027E-15 1 0.4371695E-06 2 0.6742725E-07 3 0.2242978E-07 4 0.1691304E-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 0.9670662E-17 1 0.5139171E-05 2 0.1182617E-05 3 0.4819849E-07 4 0.1681615E-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 0.3528467E-05 1 0.9866446E-05 2 0.1972504E-05 3 0.4689651E-07 4 0.2090941E-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 = 0.9969440 average vibrational energy (ev) = 0.000013 average rotational energy (ev) = 0.380763 average diffraction energy (ev) = 0.012618 the reaction probability = 0.3055987D-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 0.9967552E+00 0.1670307E-01 0.3733432E+00 1 0.1105095E-02 0.1249022E-01 0.8137829E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3760951E-03 0 26 1 0 0.2272294E-02 0 31 1 1 0.7744208E-03 0 13 3 -3 0.2657543E-04 0 17 3 -2 0.3607098E-03 0 22 3 -1 0.1600383E-02 0 27 3 0 0.9528837E-03 0 32 3 1 0.4889134E-02 0 36 3 2 0.4004832E-02 0 40 3 3 0.6978650E-03 0 7 5 -5 0.3363814E-06 0 10 5 -4 0.4742669E-05 0 14 5 -3 0.6016735E-04 0 18 5 -2 0.3366013E-03 0 23 5 -1 0.7820315E-03 0 28 5 0 0.4384265E-02 0 33 5 1 0.1149777E-01 0 37 5 2 0.2205631E-01 0 41 5 3 0.1792753E-01 0 44 5 4 0.4237314E-02 0 47 5 5 0.1051642E-02 0 3 7 -7 0.8867114E-09 0 5 7 -6 0.2096456E-08 0 8 7 -5 0.1265973E-07 0 11 7 -4 0.1716980E-06 0 15 7 -3 0.3037446E-05 0 19 7 -2 0.9773760E-05 0 24 7 -1 0.5075541E-03 0 29 7 0 0.4393989E-02 0 34 7 1 0.3473107E-01 0 38 7 2 0.1582708E+00 0 42 7 3 0.3856076E+00 0 45 7 4 0.2072980E+00 0 48 7 5 0.9161101E-01 0 50 7 6 0.2976877E-01 0 52 7 7 0.5770188E-02 0 1 9 -9 0.5962634E-11 0 2 9 -8 0.1626814E-10 0 4 9 -7 0.3357996E-10 0 6 9 -6 0.8488909E-10 0 9 9 -5 0.1150293E-08 0 12 9 -4 0.6248715E-08 0 16 9 -3 0.3747417E-07 0 20 9 -2 0.2259117E-07 0 25 9 -1 0.2402826E-06 0 30 9 0 0.4662920E-06 0 35 9 1 0.1146969E-04 0 39 9 2 0.3194076E-04 0 43 9 3 0.3144870E-03 0 46 9 4 0.1161891E-03 0 49 9 5 0.1212664E-04 0 51 9 6 0.8738751E-06 0 53 9 7 0.1235741E-05 0 54 9 8 0.1399202E-06 0 55 9 9 0.7590784E-07 1 21 1 -1 0.6319727E-06 1 26 1 0 0.7132647E-05 1 31 1 1 0.6778669E-04 1 13 3 -3 0.1123737E-07 1 17 3 -2 0.1780387E-07 1 22 3 -1 0.5457339E-07 1 27 3 0 0.1416479E-05 1 32 3 1 0.6547227E-05 1 36 3 2 0.1469636E-03 1 40 3 3 0.8736140E-03 1 7 5 -5 0.1561629E-10 1 10 5 -4 0.3203512E-10 1 14 5 -3 0.1878602E-08 1 18 5 -2 0.1405455E-08 1 23 5 -1 0.2583526E-07 1 28 5 0 0.5324987E-08 1 33 5 1 0.1341394E-07 1 37 5 2 0.3111343E-06 1 41 5 3 0.4922029E-06 1 44 5 4 0.4412510E-07 1 47 5 5 0.2324193E-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 0.4336011E-13 1 0.6330766E-05 2 0.1981388E-03 3 0.1628692E-03 4 0.7685147E-05 5 0.6992726E-06 6 0.2847140E-06 7 0.7387160E-07 8 0.1141575E-07 9 0.1941614E-08 v, j, mj = 0 1 0 0 0.3508882E-06 1 0.1391188E-03 2 0.1521244E-02 3 0.5810394E-03 4 0.2731445E-04 5 0.2373764E-05 6 0.7796186E-06 7 0.5983646E-07 8 0.1125047E-07 9 0.2595708E-08 v, j, mj = 0 1 1 0 0.1584221E-12 1 0.3277461E-03 2 0.3701012E-03 3 0.6121818E-04 4 0.9606574E-05 5 0.4032504E-05 6 0.1451070E-05 7 0.2532474E-06 8 0.9698134E-08 9 0.2248942E-08 v, j, mj = 0 3 -3 0 0.1088893E-07 1 0.1519942E-06 2 0.1785698E-05 3 0.1773847E-04 4 0.5859234E-05 5 0.7781404E-06 6 0.2255179E-06 7 0.1927241E-07 8 0.4131839E-08 9 0.2085798E-08 v, j, mj = 0 3 -2 0 0.6083418E-13 1 0.8615391E-06 2 0.1133703E-03 3 0.2277001E-03 4 0.1740575E-04 5 0.1247228E-05 6 0.1057909E-06 7 0.1322725E-07 8 0.4462165E-08 9 0.1348344E-08 v, j, mj = 0 3 -1 0 0.5809939E-12 1 0.3094115E-04 2 0.8829363E-03 3 0.6738993E-03 4 0.1045935E-04 5 0.1933646E-05 6 0.1758107E-06 7 0.2848038E-07 8 0.7143499E-08 9 0.1864422E-08 v, j, mj = 0 3 0 0 0.6651990E-07 1 0.3384422E-04 2 0.4761224E-03 3 0.4330417E-03 4 0.5977646E-05 5 0.3545388E-05 6 0.2367023E-06 7 0.3885348E-07 8 0.8743731E-08 9 0.1505133E-08 v, j, mj = 0 3 1 0 0.1864230E-12 1 0.2035866E-02 2 0.2675239E-02 3 0.1571708E-03 4 0.1584034E-04 5 0.4013603E-05 6 0.9591545E-06 7 0.3621995E-07 8 0.7023527E-08 9 0.1517279E-08 v, j, mj = 0 3 2 0 0.2337838E-13 1 0.3647769E-02 2 0.1538331E-03 3 0.1189065E-03 4 0.4473358E-04 5 0.3246085E-04 6 0.6772385E-05 7 0.3429521E-06 8 0.1115748E-07 9 0.1796302E-08 v, j, mj = 0 3 3 0 0.3494259E-03 1 0.1099118E-04 2 0.2530877E-03 3 0.5920823E-04 4 0.7006860E-05 5 0.1233234E-04 6 0.5378410E-05 7 0.4272830E-06 8 0.5754793E-08 9 0.1374266E-08 v, j, mj = 0 5 -5 0 0.8248185E-14 1 0.1570453E-07 2 0.3377705E-07 3 0.8173800E-07 4 0.1307175E-06 5 0.6273730E-07 6 0.5165687E-08 7 0.1373516E-08 8 0.3836928E-08 9 0.1330877E-08 v, j, mj = 0 5 -4 0 0.1022272E-13 1 0.3775604E-06 2 0.1908176E-06 3 0.2340451E-05 4 0.1576529E-05 5 0.2347846E-06 6 0.1347859E-07 7 0.5435308E-08 8 0.2465294E-08 9 0.1147043E-08 v, j, mj = 0 5 -3 0 0.8083985E-06 1 0.4856787E-07 2 0.8055993E-05 3 0.3793968E-04 4 0.1293208E-04 5 0.3515022E-06 6 0.2017156E-07 7 0.6973959E-08 8 0.3229647E-08 9 0.7515844E-09 v, j, mj = 0 5 -2 0 0.7898725E-14 1 0.1046031E-05 2 0.9142391E-04 3 0.2131583E-03 4 0.3035572E-04 5 0.5595424E-06 6 0.3829508E-07 7 0.1566420E-07 8 0.3497857E-08 9 0.3586108E-09 v, j, mj = 0 5 -1 0 0.1267132E-11 1 0.1163850E-04 2 0.2272452E-03 3 0.4987436E-03 4 0.4350553E-04 5 0.8315098E-06 6 0.6077919E-07 7 0.2968566E-08 8 0.2151697E-08 9 0.1338103E-08 v, j, mj = 0 5 0 0 0.7541354E-07 1 0.5540501E-03 2 0.3007369E-02 3 0.7760391E-03 4 0.4606537E-04 5 0.6076666E-06 6 0.4336075E-07 7 0.1045918E-07 8 0.3999218E-08 9 0.1016826E-08 v, j, mj = 0 5 1 0 0.6762574E-11 1 0.2517794E-02 2 0.8363908E-02 3 0.5545584E-03 4 0.5556726E-04 5 0.5792978E-05 6 0.1321796E-06 7 0.1000431E-07 8 0.7539331E-08 9 0.9543779E-09 v, j, mj = 0 5 2 0 0.3138982E-14 1 0.1793207E-01 2 0.2370256E-02 3 0.1424153E-02 4 0.3104163E-03 5 0.1876766E-04 6 0.6208825E-06 7 0.2282372E-07 8 0.2695609E-08 9 0.7876908E-09 v, j, mj = 0 5 3 0 0.9798805E-02 1 0.5853963E-03 2 0.3862802E-02 3 0.3406464E-02 4 0.2677852E-03 5 0.5923477E-05 6 0.3268358E-06 7 0.1228621E-07 8 0.1022141E-07 9 0.1664621E-08 v, j, mj = 0 5 4 0 0.1146517E-13 1 0.2700488E-02 2 0.2195068E-03 3 0.6193179E-03 4 0.5511422E-03 5 0.1385922E-03 6 0.8161917E-05 7 0.9846763E-07 8 0.5747172E-08 9 0.1516766E-08 v, j, mj = 0 5 5 0 0.9519979E-12 1 0.2676786E-03 2 0.5322354E-03 3 0.1505649E-03 4 0.7859058E-04 5 0.2064467E-04 6 0.1880593E-05 7 0.4075499E-07 8 0.4599988E-08 9 0.1625932E-08 v, j, mj = 0 7 -7 0 0.1886190E-15 1 0.2362150E-10 2 0.1092784E-09 3 0.2501096E-09 4 0.1588445E-09 5 0.7029441E-10 6 0.8987272E-10 7 0.1846900E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.5819167E-11 1 0.1922262E-10 2 0.3835620E-09 3 0.1772440E-09 4 0.3465967E-09 5 0.3852728E-09 6 0.4987394E-09 7 0.2799999E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1790114E-14 1 0.2364266E-09 2 0.3356209E-08 3 0.4620322E-08 4 0.2054919E-08 5 0.6839014E-09 6 0.1471956E-08 7 0.2359924E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2844516E-13 1 0.8722958E-07 2 0.8641842E-08 3 0.2509328E-07 4 0.3807584E-07 5 0.1052057E-07 6 0.1832330E-08 7 0.3045381E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8655011E-06 1 0.8238092E-07 2 0.8700212E-06 3 0.1092364E-05 4 0.1112486E-06 5 0.8666685E-08 6 0.6920072E-08 7 0.3434338E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8720792E-14 1 0.3279842E-06 2 0.4829408E-05 3 0.4138828E-05 4 0.4495228E-06 5 0.1928328E-07 6 0.7465041E-08 7 0.1268722E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2758458E-12 1 0.7439170E-04 2 0.3626067E-03 3 0.6759696E-04 4 0.2874397E-05 5 0.6416809E-07 6 0.1512404E-07 7 0.5110952E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.9176550E-06 1 0.9707886E-03 2 0.3151331E-02 3 0.2687957E-03 4 0.1867110E-05 5 0.2442283E-06 6 0.3783670E-07 7 0.7166732E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3908486E-11 1 0.1969342E-01 2 0.1442910E-01 3 0.5469179E-03 4 0.6008079E-04 5 0.1504342E-05 6 0.3877950E-07 7 0.6113832E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.7378652E-14 1 0.1326074E+00 2 0.2335636E-01 3 0.1978246E-02 4 0.3208347E-03 5 0.7903864E-05 6 0.5028356E-07 7 0.9609793E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1751973E+00 1 0.1802672E+00 2 0.1928327E-01 3 0.1018721E-01 4 0.6578058E-03 5 0.1457767E-04 6 0.3021555E-06 7 0.1608552E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.6461031E-13 1 0.1095955E+00 2 0.8952227E-01 3 0.7214736E-02 4 0.9264175E-03 5 0.3869893E-04 6 0.4174094E-06 7 0.6575844E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1573615E-11 1 0.7718946E-02 2 0.5410962E-01 3 0.2687228E-01 4 0.2834255E-02 5 0.7536879E-04 6 0.5265086E-06 7 0.3677737E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6785021E-07 1 0.4402681E-03 2 0.9138727E-02 3 0.1587385E-01 4 0.4131894E-02 5 0.1825189E-03 6 0.1430234E-05 7 0.9707815E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.4433963E-12 1 0.1332211E-04 2 0.8933128E-03 3 0.3273106E-02 4 0.1490645E-02 5 0.9901013E-04 6 0.7782404E-06 7 0.1407979E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.5776347E-13 1 0.3018603E-12 2 0.7196376E-12 3 0.1424927E-11 4 0.3434270E-11 5 0.2417548E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2081638E-15 1 0.1923156E-12 2 0.3039581E-11 3 0.5299117E-11 4 0.7703121E-11 5 0.3380126E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1218645E-16 1 0.4071470E-11 2 0.2054066E-10 3 0.3066516E-11 4 0.5844485E-11 5 0.5682318E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.6674796E-12 1 0.5481954E-10 2 0.8414596E-11 3 0.1188697E-10 4 0.9069579E-11 5 0.3093169E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.2635847E-16 1 0.4540545E-09 2 0.3960593E-09 3 0.1931081E-09 4 0.1068894E-09 5 0.1818177E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.3104484E-16 1 0.1383909E-08 2 0.3583053E-08 3 0.8701918E-09 4 0.4111421E-09 5 0.4194091E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.5627270E-08 1 0.7752289E-08 2 0.2185310E-07 3 0.7331795E-09 4 0.1505531E-08 5 0.2807829E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.5171740E-16 1 0.7613103E-08 2 0.6005054E-08 3 0.3190846E-08 4 0.5775215E-08 5 0.6954697E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3046087E-16 1 0.1088148E-06 2 0.8237376E-07 3 0.2548084E-07 4 0.2354001E-07 5 0.7318984E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1020198E-07 1 0.6451222E-07 2 0.2061064E-06 3 0.1503238E-06 4 0.3508749E-07 5 0.6019608E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1628706E-14 1 0.7420273E-05 2 0.3570052E-05 3 0.3992176E-06 4 0.8008263E-07 5 0.6598890E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.6104347E-16 1 0.1870796E-04 2 0.1273821E-04 3 0.4713919E-06 4 0.2298454E-07 5 0.2074769E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1497796E-03 1 0.1427286E-03 2 0.2091243E-04 3 0.9877329E-06 4 0.7838186E-07 5 0.2056547E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4007066E-16 1 0.9617086E-04 2 0.1960840E-04 3 0.1533728E-06 4 0.2549727E-06 5 0.1461537E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1292080E-14 1 0.5178086E-05 2 0.5719470E-05 3 0.1049790E-05 4 0.1791226E-06 5 0.1707621E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1068612E-07 1 0.5763104E-07 2 0.3358869E-06 3 0.3049194E-06 4 0.1647313E-06 5 0.2026733E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1827939E-15 1 0.9008332E-06 2 0.2242263E-06 3 0.6076452E-07 4 0.4986098E-07 5 0.5595816E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.7257070E-16 1 0.4338925E-07 2 0.4920671E-07 3 0.2869574E-07 4 0.1858028E-07 5 0.4817460E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.5259330E-09 1 0.5242752E-08 2 0.3050510E-07 3 0.2666826E-07 4 0.1271763E-07 5 0.2481725E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.8126940E-14 1 0.4938829E-07 2 0.3421795E-06 3 0.2085741E-06 4 0.2187838E-07 5 0.8792360E-08 6 0.1160081E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3755658E-08 1 0.2773429E-06 2 0.5314995E-05 3 0.1408534E-05 4 0.1135923E-06 5 0.1223620E-07 6 0.2191791E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1511030E-13 1 0.2498025E-04 2 0.3055247E-04 3 0.1156326E-04 4 0.6707376E-06 5 0.1845871E-07 6 0.1520941E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.4124232E-08 1 0.2738972E-08 2 0.2119055E-09 3 0.4237636E-09 4 0.2929468E-08 5 0.8090287E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.8151481E-16 1 0.4115257E-08 2 0.4349639E-08 3 0.4087111E-08 4 0.5039408E-08 5 0.2124594E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.7831944E-15 1 0.3998971E-08 2 0.3961697E-07 3 0.3035634E-08 4 0.6885288E-08 5 0.1036524E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1294988E-08 1 0.2097253E-06 2 0.9852913E-06 3 0.2125395E-06 4 0.7127732E-08 5 0.4998000E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.8906102E-14 1 0.1163302E-05 2 0.4193368E-05 3 0.1136142E-05 4 0.4389469E-07 5 0.1051958E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.7897159E-16 1 0.9483185E-04 2 0.4978205E-04 3 0.2338859E-05 4 0.1026393E-07 5 0.6120069E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1838871E-03 1 0.5225804E-03 2 0.1583256E-03 3 0.8715804E-05 4 0.1024905E-06 5 0.2635603E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1879285E-16 1 0.5731545E-11 2 0.9659958E-11 3 0.2247689E-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 -4 0 0.1418852E-16 1 0.2178089E-10 2 0.9801001E-11 3 0.4532118E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3594865E-10 1 0.1589154E-08 2 0.2531875E-09 3 0.3119950E-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 0.1332561E-16 1 0.4091113E-09 2 0.9935645E-09 3 0.2779397E-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 0.2249804E-18 1 0.2477110E-07 2 0.1060960E-08 3 0.3204939E-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 0.5029366E-09 1 0.1785997E-08 2 0.2968594E-08 3 0.6745934E-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 0.1313838E-16 1 0.2125230E-08 2 0.1123350E-07 3 0.5520480E-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 0.6151163E-18 1 0.2502950E-06 2 0.6066556E-07 3 0.1737417E-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 0.3640778E-07 1 0.4080683E-06 2 0.4740953E-07 3 0.3173020E-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 0.8060327E-17 1 0.4341600E-08 2 0.3938298E-07 3 0.4005274E-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 0.1854625E-16 1 0.4230572E-08 2 0.1880149E-07 3 0.2098679E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9978603 average vibrational energy (ev) = 0.000564 average rotational energy (ev) = 0.373020 average diffraction energy (ev) = 0.016698 the reaction probability = 0.2139657D-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 0.9983981E+00 0.2290211E-01 0.3638153E+00 1 0.2489291E-02 0.1600686E-01 0.7774268E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1048342E-02 0 26 1 0 0.5466026E-02 0 31 1 1 0.1508340E-02 0 13 3 -3 0.5931065E-04 0 17 3 -2 0.9143193E-03 0 22 3 -1 0.3530708E-02 0 27 3 0 0.1268543E-02 0 32 3 1 0.9776792E-02 0 36 3 2 0.5622231E-02 0 40 3 3 0.1185378E-02 0 7 5 -5 0.3893488E-05 0 10 5 -4 0.3134162E-04 0 14 5 -3 0.3185887E-03 0 18 5 -2 0.1450235E-02 0 23 5 -1 0.2795824E-02 0 28 5 0 0.9129301E-02 0 33 5 1 0.1714161E-01 0 37 5 2 0.3097034E-01 0 41 5 3 0.2048355E-01 0 44 5 4 0.7349347E-02 0 47 5 5 0.2494563E-02 0 3 7 -7 0.4028176E-08 0 5 7 -6 0.8182993E-08 0 8 7 -5 0.8716736E-07 0 11 7 -4 0.1700054E-05 0 15 7 -3 0.1892917E-04 0 19 7 -2 0.7437042E-04 0 24 7 -1 0.1586241E-02 0 29 7 0 0.1116157E-01 0 34 7 1 0.5175826E-01 0 38 7 2 0.1634455E+00 0 42 7 3 0.2541759E+00 0 45 7 4 0.1713824E+00 0 48 7 5 0.1263441E+00 0 50 7 6 0.6519435E-01 0 52 7 7 0.2823518E-01 0 1 9 -9 0.3382542E-10 0 2 9 -8 0.3388126E-10 0 4 9 -7 0.1784911E-09 0 6 9 -6 0.2917397E-09 0 9 9 -5 0.3514232E-08 0 12 9 -4 0.1262691E-07 0 16 9 -3 0.4233669E-07 0 20 9 -2 0.9991797E-07 0 25 9 -1 0.1600461E-05 0 30 9 0 0.8039591E-05 0 35 9 1 0.7749909E-04 0 39 9 2 0.2678830E-03 0 43 9 3 0.1410343E-02 0 46 9 4 0.5786339E-03 0 49 9 5 0.1150219E-03 0 51 9 6 0.8760635E-05 0 53 9 7 0.2215251E-05 0 54 9 8 0.4167216E-06 0 55 9 9 0.4121286E-06 1 21 1 -1 0.3005255E-04 1 26 1 0 0.4074904E-04 1 31 1 1 0.2399281E-03 1 13 3 -3 0.2286139E-06 1 17 3 -2 0.2384662E-06 1 22 3 -1 0.5087803E-06 1 27 3 0 0.2174642E-04 1 32 3 1 0.1745569E-03 1 36 3 2 0.6357955E-03 1 40 3 3 0.1335288E-02 1 7 5 -5 0.1940845E-09 1 10 5 -4 0.6342425E-09 1 14 5 -3 0.1441285E-08 1 18 5 -2 0.2995319E-08 1 23 5 -1 0.3361058E-07 1 28 5 0 0.8705927E-07 1 33 5 1 0.8108731E-06 1 37 5 2 0.6335519E-05 1 41 5 3 0.1282829E-05 1 44 5 4 0.1551213E-05 1 47 5 5 0.9239212E-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 0.7994944E-13 1 0.1844069E-04 2 0.5111063E-03 3 0.4515398E-03 4 0.5412719E-04 5 0.9441983E-05 6 0.3101725E-05 7 0.5418161E-06 8 0.4034512E-07 9 0.2243444E-08 v, j, mj = 0 1 0 0 0.7984741E-06 1 0.2724263E-03 2 0.3051481E-02 3 0.1898982E-02 4 0.2099899E-03 5 0.2576883E-04 6 0.5817834E-05 7 0.7167041E-06 8 0.3953223E-07 9 0.4953406E-08 v, j, mj = 0 1 1 0 0.2604932E-12 1 0.4701077E-03 2 0.6791289E-03 3 0.2413740E-03 4 0.6740594E-04 5 0.3195868E-04 6 0.1394915E-04 7 0.4068425E-05 8 0.3391211E-06 9 0.7769484E-08 v, j, mj = 0 3 -3 0 0.1182064E-06 1 0.1247185E-07 2 0.5074185E-05 3 0.4056110E-04 4 0.9071879E-05 5 0.3152596E-05 6 0.1148282E-05 7 0.1623856E-06 8 0.7848897E-08 9 0.1690329E-08 v, j, mj = 0 3 -2 0 0.9223578E-13 1 0.2211206E-05 2 0.2967551E-03 3 0.5883463E-03 4 0.2036973E-04 5 0.6234031E-05 6 0.3671191E-06 7 0.2950846E-07 8 0.3693580E-08 9 0.2672497E-08 v, j, mj = 0 3 -1 0 0.1327427E-11 1 0.6521598E-04 2 0.1981724E-02 3 0.1411557E-02 4 0.6600290E-04 5 0.5835360E-05 6 0.3185640E-06 7 0.4371006E-07 8 0.9427266E-08 9 0.1251450E-08 v, j, mj = 0 3 0 0 0.7533418E-07 1 0.4383753E-04 2 0.5208631E-03 3 0.6579760E-03 4 0.3394366E-04 5 0.9367119E-05 6 0.2158363E-05 7 0.3000128E-06 8 0.1963571E-07 9 0.2367158E-08 v, j, mj = 0 3 1 0 0.8027374E-12 1 0.2988892E-02 2 0.5564051E-02 3 0.1020858E-02 4 0.1592700E-03 5 0.3463143E-04 6 0.8402111E-05 7 0.6614830E-06 8 0.2417741E-07 9 0.1501903E-08 v, j, mj = 0 3 2 0 0.1533716E-12 1 0.4669988E-02 2 0.1417453E-03 3 0.5152332E-03 4 0.1318760E-03 5 0.1221413E-03 6 0.3745072E-04 7 0.3714745E-05 8 0.7609193E-07 9 0.5075073E-08 v, j, mj = 0 3 3 0 0.4310147E-03 1 0.4348993E-04 2 0.4902017E-03 3 0.9480359E-04 4 0.1248636E-04 5 0.5611532E-04 6 0.4657986E-04 7 0.1024480E-04 8 0.4397203E-06 9 0.2364759E-08 v, j, mj = 0 5 -5 0 0.2553069E-13 1 0.2397510E-06 2 0.4022588E-06 3 0.1004603E-05 4 0.1482035E-05 5 0.6473170E-06 6 0.1074913E-06 7 0.7295147E-08 8 0.1386366E-08 9 0.1350623E-08 v, j, mj = 0 5 -4 0 0.3486722E-13 1 0.2187157E-05 2 0.1359139E-05 3 0.1705706E-04 4 0.1007740E-04 5 0.6188146E-06 6 0.3015817E-07 7 0.6927061E-08 8 0.2027834E-08 9 0.2932458E-08 v, j, mj = 0 5 -3 0 0.3033479E-05 1 0.1265129E-06 2 0.4745896E-04 3 0.2213488E-03 4 0.4642513E-04 5 0.1477188E-06 6 0.3320908E-07 7 0.9057459E-08 8 0.5292016E-08 9 0.5519834E-09 v, j, mj = 0 5 -2 0 0.5923641E-14 1 0.5619389E-05 2 0.4337480E-03 3 0.9120820E-03 4 0.9807219E-04 5 0.5674970E-06 6 0.1325268E-06 7 0.1011440E-07 8 0.2435446E-08 9 0.6225653E-09 v, j, mj = 0 5 -1 0 0.5050727E-11 1 0.3078817E-04 2 0.9658620E-03 3 0.1721068E-02 4 0.7756747E-04 5 0.4298588E-06 6 0.1002141E-06 7 0.4829558E-08 8 0.1987704E-08 9 0.1039684E-08 v, j, mj = 0 5 0 0 0.7083116E-06 1 0.1400616E-02 2 0.6559168E-02 3 0.1109533E-02 4 0.5847113E-04 5 0.7227009E-06 6 0.6784041E-07 7 0.8441194E-08 8 0.4014990E-08 9 0.1616127E-08 v, j, mj = 0 5 1 0 0.1627745E-10 1 0.2866682E-02 2 0.1363127E-01 3 0.4246632E-03 4 0.1973611E-03 5 0.2065007E-04 6 0.9449107E-06 7 0.3430772E-07 8 0.4744665E-08 9 0.1273594E-08 v, j, mj = 0 5 2 0 0.2067688E-13 1 0.2416695E-01 2 0.1371660E-02 3 0.4694355E-02 4 0.6727824E-03 5 0.5939840E-04 6 0.5054719E-05 7 0.1334507E-06 8 0.5318783E-08 9 0.2096778E-08 v, j, mj = 0 5 3 0 0.1114520E-01 1 0.1817574E-03 2 0.4530044E-02 3 0.4308903E-02 4 0.2296153E-03 5 0.7662248E-04 6 0.1100724E-04 7 0.3877257E-06 8 0.1128432E-07 9 0.1400787E-08 v, j, mj = 0 5 4 0 0.3557870E-13 1 0.4880239E-02 2 0.2415663E-03 3 0.6772423E-03 4 0.1055503E-02 5 0.4433431E-03 6 0.5031926E-04 7 0.1112401E-05 8 0.1515489E-07 9 0.6121889E-08 v, j, mj = 0 5 5 0 0.3035870E-11 1 0.6011388E-03 2 0.1382552E-02 3 0.1282608E-03 4 0.1495139E-03 5 0.1759293E-03 6 0.5451534E-04 7 0.2631060E-05 8 0.1977579E-07 9 0.2374217E-08 v, j, mj = 0 7 -7 0 0.7362168E-15 1 0.6131929E-09 2 0.1000237E-08 3 0.8198345E-09 4 0.6150669E-09 5 0.2102995E-09 6 0.1475429E-09 7 0.4580841E-09 8 0.1639170E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1986236E-10 1 0.7126975E-09 2 0.5985051E-09 3 0.2542085E-08 4 0.2073363E-08 5 0.8595098E-09 6 0.5969867E-09 7 0.5696135E-09 8 0.2103705E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.8305931E-14 1 0.2924471E-07 2 0.1150454E-07 3 0.2544302E-07 4 0.1645758E-07 5 0.2138137E-08 6 0.1721604E-08 7 0.6050670E-09 8 0.5269066E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1138659E-12 1 0.6022974E-06 2 0.1047967E-06 3 0.5571547E-06 4 0.3995925E-06 5 0.3123976E-07 6 0.4530627E-08 7 0.3384032E-09 8 0.1035688E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2717493E-05 1 0.5601603E-07 2 0.4095838E-05 3 0.1036650E-04 4 0.1661547E-05 5 0.2067944E-07 6 0.1011170E-07 7 0.7808619E-09 8 0.2042979E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2433324E-13 1 0.5888797E-06 2 0.2967530E-04 3 0.4016975E-04 4 0.3896810E-05 5 0.3377696E-07 6 0.4328208E-08 7 0.1373962E-08 8 0.1989818E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2292576E-11 1 0.1853001E-03 2 0.1202845E-02 3 0.1944741E-03 4 0.3321171E-05 5 0.2721429E-06 6 0.2424326E-07 7 0.3382578E-08 8 0.3601347E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2204669E-05 1 0.2655061E-02 2 0.8260138E-02 3 0.2308483E-03 4 0.1233908E-04 5 0.9355131E-06 6 0.3804994E-07 7 0.5279996E-08 8 0.4362790E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2720261E-10 1 0.3438352E-01 2 0.1691699E-01 3 0.2754563E-03 4 0.1759649E-03 5 0.6252817E-05 6 0.6337587E-07 7 0.5729174E-08 8 0.6439498E-09 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2269182E-13 1 0.1478758E+00 2 0.8858571E-02 3 0.6088397E-02 4 0.6002532E-03 5 0.2217492E-04 6 0.3006798E-06 7 0.6329654E-08 8 0.1746580E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1198842E+00 1 0.8011854E-01 2 0.4079006E-01 3 0.1257462E-01 4 0.7544627E-03 5 0.5310551E-04 6 0.8381410E-06 7 0.2349187E-07 8 0.1078524E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3425460E-12 1 0.9975195E-01 2 0.6202092E-01 3 0.6685433E-02 4 0.2744518E-02 5 0.1766504E-03 6 0.2950815E-05 7 0.8377931E-08 8 0.3155935E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.9482989E-11 1 0.1941854E-01 2 0.7525232E-01 3 0.2772944E-01 4 0.3676180E-02 5 0.2630901E-03 6 0.4472901E-05 7 0.1714186E-07 8 0.8259686E-09 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6942303E-06 1 0.1635356E-02 2 0.2183972E-01 3 0.2979492E-01 4 0.1084646E-01 5 0.1060370E-02 6 0.1677341E-04 7 0.5699830E-07 8 0.1844931E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3269806E-11 1 0.5775473E-04 2 0.3502808E-02 3 0.1355373E-01 4 0.9719738E-02 5 0.1370463E-02 6 0.3057378E-04 7 0.1134258E-06 8 0.3059840E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1687575E-11 1 0.6711764E-12 2 0.4422823E-11 3 0.1127122E-10 4 0.8166232E-11 5 0.7606393E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1133804E-14 1 0.3884135E-12 2 0.8764043E-11 3 0.8360747E-11 4 0.4958081E-11 5 0.1140884E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3434556E-16 1 0.9764880E-11 2 0.7625007E-10 3 0.5375208E-10 4 0.2408193E-10 5 0.1464213E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1206711E-10 1 0.4876477E-10 2 0.2130081E-10 3 0.1115960E-09 4 0.7801500E-10 5 0.1999597E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.3295787E-17 1 0.1493996E-08 2 0.1196268E-08 3 0.5357018E-09 4 0.1873012E-09 5 0.1009659E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1171946E-14 1 0.1818033E-08 2 0.5289377E-08 3 0.4783570E-08 4 0.4419125E-09 5 0.2940206E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3841035E-08 1 0.3733354E-08 2 0.2774396E-07 3 0.3481856E-08 4 0.3049308E-08 5 0.4871735E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3329010E-15 1 0.2129348E-07 2 0.5353504E-07 3 0.1434587E-07 4 0.9123146E-08 5 0.1620433E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9622336E-15 1 0.4638484E-07 2 0.1172168E-05 3 0.3002900E-06 4 0.7302456E-07 5 0.8593968E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1374081E-07 1 0.1418060E-05 2 0.5395648E-05 3 0.1087424E-05 4 0.1148927E-06 5 0.9826026E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.3132751E-13 1 0.4341832E-04 2 0.3187798E-04 3 0.1918343E-05 4 0.2521553E-06 5 0.3229517E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3111907E-15 1 0.1743211E-03 2 0.8910746E-04 3 0.4123328E-05 4 0.3223597E-06 5 0.8808252E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.7024838E-03 1 0.5751004E-03 2 0.1268689E-03 3 0.5812167E-05 4 0.5862296E-07 5 0.1905174E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.5549945E-15 1 0.4812460E-03 2 0.9508631E-04 3 0.2115212E-05 4 0.1208275E-06 5 0.6552851E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3949162E-13 1 0.7005509E-04 2 0.4207019E-04 3 0.2736640E-05 4 0.1154020E-06 5 0.4460031E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.5596575E-08 1 0.1272861E-05 2 0.5721705E-05 3 0.1649148E-05 4 0.9912856E-07 5 0.1219638E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1405928E-13 1 0.9579164E-07 2 0.1572705E-05 3 0.4849764E-06 4 0.4627587E-07 5 0.1550218E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1754966E-14 1 0.1550897E-07 2 0.8604607E-07 3 0.2340021E-06 4 0.7412272E-07 5 0.7041824E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.5444168E-07 1 0.1048437E-06 2 0.5730750E-07 3 0.1323869E-06 4 0.3440056E-07 5 0.2874831E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1275704E-12 1 0.2268894E-06 2 0.1596897E-04 3 0.1266986E-04 4 0.1171861E-05 5 0.1137499E-07 6 0.3593144E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.6236222E-08 1 0.3103919E-05 2 0.3168832E-04 3 0.5063671E-05 4 0.8475058E-06 5 0.3270944E-07 6 0.6678393E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1079625E-12 1 0.4055116E-04 2 0.8821581E-04 3 0.9365178E-04 4 0.1709340E-04 5 0.4112633E-06 6 0.4700631E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1346887E-07 1 0.5486692E-07 2 0.1201155E-06 3 0.3394306E-07 4 0.3051095E-08 5 0.2449191E-08 6 0.7192089E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3802064E-15 1 0.1691813E-07 2 0.1089491E-06 3 0.9934982E-07 4 0.9302171E-08 5 0.3744948E-08 6 0.2020785E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2008085E-13 1 0.1751756E-07 2 0.1191479E-06 3 0.3344690E-06 4 0.3432685E-07 5 0.3199247E-08 6 0.1196423E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5121045E-08 1 0.2276842E-05 2 0.1426898E-04 3 0.4908754E-05 4 0.2785334E-06 5 0.7746148E-08 6 0.4505068E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2425454E-12 1 0.4542738E-04 2 0.9511234E-04 3 0.3206098E-04 4 0.1895780E-05 5 0.5980012E-07 6 0.6621562E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.7741046E-15 1 0.3710389E-03 2 0.2502808E-03 3 0.1433948E-04 4 0.1274174E-06 5 0.8398859E-08 6 0.5638678E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.4153880E-03 1 0.8076300E-03 2 0.1111472E-03 3 0.9955838E-06 4 0.1092729E-06 5 0.1710400E-07 6 0.8922542E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.5065184E-16 1 0.2940395E-10 2 0.5086519E-10 3 0.1011179E-09 4 0.1269747E-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 0.1675218E-17 1 0.4901010E-10 2 0.2316598E-09 3 0.3223594E-09 4 0.3121320E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3016460E-09 1 0.1804633E-09 2 0.6659874E-09 3 0.2690920E-09 4 0.2409609E-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 0.2509194E-16 1 0.3981689E-09 2 0.2061286E-08 3 0.4000808E-09 4 0.1357830E-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 0.1045096E-15 1 0.1807770E-07 2 0.1347275E-07 3 0.1770764E-08 4 0.2893732E-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 0.1603044E-08 1 0.4704455E-08 2 0.5915145E-07 3 0.2113137E-07 4 0.4689630E-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 0.1486804E-14 1 0.2496289E-06 2 0.5046886E-06 3 0.5484699E-07 4 0.1708601E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.2229652E-16 1 0.4663628E-05 2 0.1642577E-05 3 0.2611618E-07 4 0.3197274E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.3300424E-06 1 0.6013886E-06 2 0.3106299E-06 3 0.3765207E-07 4 0.3116455E-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 0.5566408E-17 1 0.9936036E-06 2 0.5393902E-06 3 0.1609741E-07 4 0.2121468E-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 0.4034282E-15 1 0.1258224E-07 2 0.6904901E-07 3 0.1019540E-07 4 0.5654731E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0008874 average vibrational energy (ev) = 0.001267 average rotational energy (ev) = 0.363104 average diffraction energy (ev) = 0.022885 the reaction probability = -0.8874290D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40043101D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9950568E+00 0.3182731E-01 0.3533976E+00 1 0.5539561E-02 0.2539394E-01 0.8934080E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2348033E-02 0 26 1 0 0.1029425E-01 0 31 1 1 0.2507284E-02 0 13 3 -3 0.1147040E-03 0 17 3 -2 0.1636979E-02 0 22 3 -1 0.6236939E-02 0 27 3 0 0.1928518E-02 0 32 3 1 0.1643202E-01 0 36 3 2 0.6427125E-02 0 40 3 3 0.2012714E-02 0 7 5 -5 0.2551391E-04 0 10 5 -4 0.1625886E-03 0 14 5 -3 0.1159889E-02 0 18 5 -2 0.4397492E-02 0 23 5 -1 0.7111167E-02 0 28 5 0 0.1461061E-01 0 33 5 1 0.2057504E-01 0 37 5 2 0.4064687E-01 0 41 5 3 0.1708528E-01 0 44 5 4 0.1044030E-01 0 47 5 5 0.4493476E-02 0 3 7 -7 0.1629511E-06 0 5 7 -6 0.1211500E-06 0 8 7 -5 0.1364106E-05 0 11 7 -4 0.1464184E-04 0 15 7 -3 0.1100702E-03 0 19 7 -2 0.3933241E-03 0 24 7 -1 0.4096675E-02 0 29 7 0 0.2187954E-01 0 34 7 1 0.6306308E-01 0 38 7 2 0.1341791E+00 0 42 7 3 0.1852244E+00 0 45 7 4 0.1106744E+00 0 48 7 5 0.1277932E+00 0 50 7 6 0.9518523E-01 0 52 7 7 0.7387884E-01 0 1 9 -9 0.1096734E-09 0 2 9 -8 0.1228338E-09 0 4 9 -7 0.6221153E-09 0 6 9 -6 0.1100190E-08 0 9 9 -5 0.5360047E-08 0 12 9 -4 0.3324356E-07 0 16 9 -3 0.1138981E-06 0 20 9 -2 0.1068978E-05 0 25 9 -1 0.1432013E-04 0 30 9 0 0.7143876E-04 0 35 9 1 0.3833745E-03 0 39 9 2 0.1069979E-02 0 43 9 3 0.3890985E-02 0 46 9 4 0.1971574E-02 0 49 9 5 0.4304265E-03 0 51 9 6 0.7094610E-04 0 53 9 7 0.7852565E-05 0 54 9 8 0.1486054E-05 0 55 9 9 0.2194498E-05 1 21 1 -1 0.1747600E-03 1 26 1 0 0.1137209E-03 1 31 1 1 0.2200296E-03 1 13 3 -3 0.1409707E-05 1 17 3 -2 0.5848680E-05 1 22 3 -1 0.4012755E-04 1 27 3 0 0.1206912E-03 1 32 3 1 0.5376896E-03 1 36 3 2 0.1735700E-02 1 40 3 3 0.2162372E-02 1 7 5 -5 0.7731295E-09 1 10 5 -4 0.1887640E-08 1 14 5 -3 0.1210557E-07 1 18 5 -2 0.3819683E-07 1 23 5 -1 0.3779460E-06 1 28 5 0 0.3409510E-05 1 33 5 1 0.2073846E-04 1 37 5 2 0.1103837E-03 1 41 5 3 0.2751215E-04 1 44 5 4 0.2079070E-03 1 47 5 5 0.5682887E-04 1 3 7 -7 0.9402733E-17 1 5 7 -6 0.5627552E-13 1 8 7 -5 0.4582406E-17 1 11 7 -4 0.3550094E-18 1 15 7 -3 0.7702578E-12 1 19 7 -2 0.1260003E-18 1 24 7 -1 0.2745295E-18 1 29 7 0 0.1234179E-10 1 34 7 1 0.2013007E-17 1 38 7 2 0.7568357E-18 1 42 7 3 0.5322866E-09 1 45 7 4 0.2361952E-18 1 48 7 5 0.3022052E-17 1 50 7 6 0.1863310E-10 1 52 7 7 0.8509044E-17 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 0.6547906E-11 1 0.2509876E-04 2 0.8749199E-03 3 0.1053877E-02 4 0.2518772E-03 5 0.9205377E-04 6 0.3978008E-04 7 0.9591059E-05 8 0.8214932E-06 9 0.1316656E-07 v, j, mj = 0 1 0 0 0.1020874E-05 1 0.3661065E-03 2 0.3977504E-02 3 0.4480250E-02 4 0.1207554E-02 5 0.2088561E-03 6 0.4466987E-04 7 0.7778745E-05 8 0.4992658E-06 9 0.8373535E-08 v, j, mj = 0 1 1 0 0.4595474E-11 1 0.3726389E-03 2 0.7686044E-03 3 0.8053045E-03 4 0.2507037E-03 5 0.1586157E-03 6 0.1060176E-03 7 0.3908538E-04 8 0.6118363E-05 9 0.1957991E-06 v, j, mj = 0 3 -3 0 0.1490254E-05 1 0.2304740E-05 2 0.1057938E-04 3 0.3550391E-04 4 0.2379744E-04 5 0.2900468E-04 6 0.9669615E-05 7 0.2214748E-05 8 0.1371245E-06 9 0.2082956E-08 v, j, mj = 0 3 -2 0 0.1996951E-12 1 0.7160770E-05 2 0.4556842E-03 3 0.9291425E-03 4 0.2091363E-03 5 0.3081256E-04 6 0.4406169E-05 7 0.5964178E-06 8 0.3604573E-07 9 0.3620216E-08 v, j, mj = 0 3 -1 0 0.1413574E-11 1 0.7115718E-04 2 0.2769707E-02 3 0.2752203E-02 4 0.6027144E-03 5 0.3587440E-04 6 0.4574966E-05 7 0.6534960E-06 8 0.5234712E-07 9 0.2753505E-08 v, j, mj = 0 3 0 0 0.6418201E-07 1 0.6861191E-04 2 0.5307023E-03 3 0.1021680E-02 4 0.2519575E-03 5 0.3410909E-04 6 0.1791797E-04 7 0.3248804E-05 8 0.2201378E-06 9 0.6149588E-08 v, j, mj = 0 3 1 0 0.7567292E-12 1 0.3489481E-02 2 0.8022390E-02 3 0.3515671E-02 4 0.1050192E-02 5 0.2766274E-03 6 0.6658977E-04 7 0.1036710E-04 8 0.6855922E-06 9 0.1411094E-07 v, j, mj = 0 3 2 0 0.1450675E-11 1 0.3638832E-02 2 0.3336146E-03 3 0.1341594E-02 4 0.4809197E-03 5 0.4009509E-03 6 0.1942157E-03 7 0.3556318E-04 8 0.1429189E-05 9 0.6304953E-08 v, j, mj = 0 3 3 0 0.4547892E-03 1 0.1486392E-03 2 0.7383079E-03 3 0.9188105E-04 4 0.5178358E-04 5 0.1839699E-03 6 0.2364605E-03 7 0.9774652E-04 8 0.9042398E-05 9 0.9375387E-07 v, j, mj = 0 5 -5 0 0.2948595E-12 1 0.5116972E-05 2 0.9936679E-06 3 0.2427526E-05 4 0.1101133E-04 5 0.4175946E-05 6 0.1582304E-05 7 0.2019334E-06 8 0.2417370E-08 9 0.1811495E-08 v, j, mj = 0 5 -4 0 0.7023045E-13 1 0.1014500E-04 2 0.8106802E-05 3 0.8531532E-04 4 0.5752246E-04 5 0.1258058E-05 6 0.2175472E-06 7 0.1669407E-07 8 0.5011817E-08 9 0.1684106E-08 v, j, mj = 0 5 -3 0 0.7488652E-05 1 0.2707165E-05 2 0.1632483E-03 3 0.8512911E-03 4 0.1319751E-03 5 0.3007723E-05 6 0.1516191E-06 7 0.1350219E-07 8 0.4594476E-08 9 0.1101206E-08 v, j, mj = 0 5 -2 0 0.1744424E-12 1 0.1900465E-04 2 0.1284989E-02 3 0.2794930E-02 4 0.2908882E-03 5 0.7406217E-05 6 0.2462801E-06 7 0.2439583E-07 8 0.2070141E-08 9 0.1002566E-08 v, j, mj = 0 5 -1 0 0.1360055E-10 1 0.1228664E-03 2 0.2599960E-02 3 0.4189861E-02 4 0.1955301E-03 5 0.2627932E-05 6 0.2900824E-06 7 0.2573694E-07 8 0.3463447E-08 9 0.1343196E-08 v, j, mj = 0 5 0 0 0.2103428E-05 1 0.2310049E-02 2 0.1070444E-01 3 0.1419782E-02 4 0.1648681E-03 5 0.7988279E-05 6 0.1266979E-05 7 0.1052036E-06 8 0.4472455E-08 9 0.9288894E-09 v, j, mj = 0 5 1 0 0.1872059E-10 1 0.1902183E-02 2 0.1663911E-01 3 0.1314842E-02 4 0.6302007E-03 5 0.7904890E-04 6 0.8947631E-05 7 0.7002789E-06 8 0.9363967E-08 9 0.1541789E-08 v, j, mj = 0 5 2 0 0.4113813E-13 1 0.2566373E-01 2 0.2569243E-02 3 0.1046148E-01 4 0.1599249E-02 5 0.3103297E-03 6 0.4075852E-04 7 0.2046900E-05 8 0.3745455E-07 9 0.1396060E-08 v, j, mj = 0 5 3 0 0.7211335E-02 1 0.2923816E-03 2 0.3210607E-02 3 0.4561679E-02 4 0.1152901E-02 5 0.5389156E-03 6 0.1099389E-03 7 0.7370273E-05 8 0.1458938E-06 9 0.3321147E-08 v, j, mj = 0 5 4 0 0.7464783E-13 1 0.6790074E-02 2 0.5387667E-03 3 0.7341204E-03 4 0.1246782E-02 5 0.9050104E-03 6 0.2135821E-03 7 0.1182326E-04 8 0.1325536E-06 9 0.5192457E-08 v, j, mj = 0 5 5 0 0.2388894E-11 1 0.6938486E-03 2 0.1688847E-02 3 0.3245849E-03 4 0.6270005E-03 5 0.7486549E-03 6 0.3685658E-03 7 0.4127856E-04 8 0.6894504E-06 9 0.6497044E-08 v, j, mj = 0 7 -7 0 0.1189138E-13 1 0.1762124E-07 2 0.3079472E-07 3 0.4221832E-07 4 0.5035228E-07 5 0.1947857E-07 6 0.1519874E-08 7 0.6036713E-09 8 0.3623598E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3667951E-09 1 0.1449867E-07 2 0.2256429E-07 3 0.1846508E-07 4 0.4095165E-07 5 0.2111738E-07 6 0.2112125E-08 7 0.7824795E-09 8 0.2914758E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3848704E-13 1 0.6396305E-06 2 0.1455083E-07 3 0.3959017E-06 4 0.2818381E-06 5 0.2542923E-07 6 0.4445633E-08 7 0.2073098E-08 8 0.2370083E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3098926E-12 1 0.2311352E-05 2 0.1456757E-05 3 0.7486527E-05 4 0.3316793E-05 5 0.6272540E-07 6 0.6361257E-08 7 0.1145101E-08 8 0.1783012E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5590754E-05 1 0.1454359E-05 2 0.2089926E-04 3 0.7087389E-04 4 0.1118238E-04 5 0.5527001E-07 6 0.1282735E-07 7 0.8073424E-09 8 0.6676104E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5204779E-13 1 0.7758771E-06 2 0.1471854E-03 3 0.2273258E-03 4 0.1793366E-04 5 0.9582991E-07 6 0.4757075E-08 7 0.2289830E-08 8 0.4495376E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1148511E-10 1 0.3957394E-03 2 0.3236314E-02 3 0.4483913E-03 4 0.1529529E-04 5 0.8986559E-06 6 0.2539759E-07 7 0.8841285E-08 8 0.2469867E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4926762E-05 1 0.5754339E-02 2 0.1565362E-01 3 0.3728309E-03 4 0.9110133E-04 5 0.2635412E-05 6 0.7010970E-07 7 0.7410695E-08 8 0.3030246E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1099079E-09 1 0.4886710E-01 2 0.1089818E-01 3 0.2964093E-02 4 0.3176366E-03 5 0.1558310E-04 6 0.4699244E-06 7 0.1144108E-07 8 0.2376853E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1108646E-12 1 0.1118887E+00 2 0.8320228E-02 3 0.1326444E-01 4 0.6371982E-03 5 0.6642384E-04 6 0.2045556E-05 7 0.4472195E-07 8 0.3713800E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.5949636E-01 1 0.3015836E-01 2 0.8553053E-01 3 0.7647315E-02 4 0.2153465E-02 5 0.2301581E-03 6 0.8104494E-05 7 0.9671979E-07 8 0.2165826E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1119007E-11 1 0.5996518E-01 2 0.2500590E-01 3 0.1978951E-01 4 0.5387811E-02 5 0.5071261E-03 6 0.1869812E-04 7 0.1929632E-06 8 0.2857360E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.4251768E-10 1 0.3438048E-01 2 0.7374142E-01 3 0.1533503E-01 4 0.3511972E-02 5 0.7939705E-03 6 0.2996716E-04 7 0.3926962E-06 8 0.6286474E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.5035991E-05 1 0.5045517E-02 2 0.4228216E-01 3 0.3571793E-01 4 0.9949557E-02 5 0.2090052E-02 6 0.9425501E-04 7 0.7204899E-06 8 0.4697290E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1711397E-10 1 0.2502412E-03 2 0.1209579E-01 3 0.3147452E-01 4 0.2364673E-01 5 0.6090862E-02 6 0.3179539E-03 7 0.2725316E-05 8 0.1078265E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2021215E-11 1 0.2176341E-11 2 0.2358994E-11 3 0.5034563E-10 4 0.1583661E-10 5 0.1974667E-10 6 0.1718793E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1357487E-14 1 0.7249961E-12 2 0.2789534E-10 3 0.2746960E-10 4 0.2815071E-10 5 0.2050181E-10 6 0.1808996E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3893873E-16 1 0.5120423E-10 2 0.1051901E-09 3 0.3134135E-09 4 0.9715362E-10 5 0.2714069E-10 6 0.2801303E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.5923258E-10 1 0.3297692E-09 2 0.1398322E-09 3 0.2034908E-09 4 0.2838608E-09 5 0.5099053E-10 6 0.3301400E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.4520975E-15 1 0.1819305E-08 2 0.6968614E-09 3 0.1703775E-08 4 0.8538385E-09 5 0.2131191E-09 6 0.7314666E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.9947715E-14 1 0.1503847E-08 2 0.1921440E-07 3 0.9904236E-08 4 0.9623321E-09 5 0.1483396E-08 6 0.1753439E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3767072E-08 1 0.3750125E-08 2 0.6194878E-07 3 0.3876586E-07 4 0.3313413E-08 5 0.2068082E-08 6 0.2847443E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1081260E-14 1 0.4320462E-07 2 0.6777589E-06 3 0.3205857E-06 4 0.1254539E-07 5 0.1385350E-07 6 0.1030145E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2085368E-13 1 0.3414049E-06 2 0.1139710E-04 3 0.2495502E-05 4 0.5873618E-07 5 0.2553203E-07 6 0.1861059E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1902833E-07 1 0.1468361E-04 2 0.5040396E-04 3 0.6097990E-05 4 0.1464503E-06 5 0.8376124E-07 6 0.3958900E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2783688E-12 1 0.2288306E-03 2 0.1471493E-03 3 0.7194633E-05 4 0.1630538E-06 5 0.3381557E-07 6 0.3060414E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.5288542E-15 1 0.7843354E-03 2 0.2682157E-03 3 0.1680093E-04 4 0.5877481E-06 5 0.3529673E-07 6 0.3492687E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2351359E-02 1 0.1149399E-02 2 0.3761619E-03 3 0.1397422E-04 4 0.5081035E-07 5 0.3420602E-07 6 0.6449858E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.9950928E-14 1 0.1671599E-02 2 0.2895288E-03 3 0.1022510E-04 4 0.1445282E-06 5 0.6345175E-07 6 0.1353031E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3734919E-12 1 0.3085803E-03 2 0.1141316E-03 3 0.7386918E-05 4 0.2402602E-06 5 0.8198279E-07 6 0.5420414E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.3132595E-07 1 0.1215491E-04 2 0.5073486E-04 3 0.7669410E-05 4 0.2836837E-06 5 0.5828794E-07 6 0.1361955E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1278885E-12 1 0.3124690E-07 2 0.4365669E-05 3 0.3000960E-05 4 0.3976639E-06 5 0.4451108E-07 6 0.1251415E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.9952459E-14 1 0.3363750E-06 2 0.5321772E-06 3 0.4321302E-06 4 0.1115780E-06 5 0.6146676E-07 6 0.1232722E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3303481E-06 1 0.2105154E-06 2 0.8580125E-06 3 0.6673959E-06 4 0.8222874E-07 5 0.1734942E-07 6 0.2864771E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4850871E-12 1 0.6467244E-05 2 0.1005698E-03 3 0.5097849E-04 4 0.1594029E-04 5 0.7970881E-06 6 0.4997365E-08 7 0.2059590E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5870321E-07 1 0.1340241E-04 2 0.9637529E-04 3 0.3031573E-05 4 0.7671388E-06 5 0.7345744E-07 6 0.1086890E-07 7 0.1481044E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6315600E-12 1 0.1108434E-04 2 0.6415332E-04 3 0.9876931E-04 4 0.4250323E-04 5 0.3474462E-05 6 0.4381937E-07 7 0.1073759E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1188792E-06 1 0.8176218E-07 2 0.3120785E-06 3 0.7281226E-06 4 0.1535436E-06 5 0.1229393E-07 6 0.3027021E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3594833E-16 1 0.1865843E-06 2 0.2744066E-05 3 0.2795761E-05 4 0.1166951E-06 5 0.4237613E-08 6 0.1335434E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2192692E-12 1 0.3674915E-06 2 0.1625244E-04 3 0.2057368E-04 4 0.2842343E-05 5 0.8926470E-07 6 0.2334376E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3619047E-07 1 0.1618370E-04 2 0.8712682E-04 3 0.1717793E-04 4 0.1529526E-06 5 0.8638239E-08 6 0.4962896E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2047836E-11 1 0.2576700E-03 2 0.2582448E-03 3 0.1719096E-04 4 0.4340598E-05 5 0.2335072E-06 6 0.9749975E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.7420663E-14 1 0.9467283E-03 2 0.7169730E-03 3 0.6596193E-04 4 0.5829884E-05 5 0.2011018E-06 6 0.5790078E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.6217845E-03 1 0.6727657E-03 2 0.1511854E-03 3 0.6064717E-03 4 0.1083855E-03 5 0.1764539E-05 6 0.1500360E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4884603E-14 1 0.1368719E-09 2 0.1192065E-09 3 0.2389231E-09 4 0.2535790E-09 5 0.2454403E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.5167627E-15 1 0.4328164E-10 2 0.9630318E-09 3 0.7399680E-09 4 0.1207049E-09 5 0.2065328E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.4388172E-08 1 0.3640182E-08 2 0.1483856E-08 3 0.1986915E-08 4 0.4463776E-09 5 0.1600625E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.4666269E-16 1 0.6270989E-08 2 0.1961824E-07 3 0.9634075E-08 4 0.2586586E-08 5 0.8693820E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.3912703E-14 1 0.9237155E-08 2 0.2396778E-06 3 0.1200192E-06 4 0.8926231E-08 5 0.8553176E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.1456984E-09 1 0.3731602E-06 2 0.2554149E-05 3 0.4751187E-06 4 0.6490282E-08 5 0.4465143E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.3247556E-13 1 0.8445412E-05 2 0.1148698E-04 3 0.7954126E-06 4 0.9290747E-08 5 0.1356569E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1080056E-16 1 0.7250507E-04 2 0.3603805E-04 3 0.1815189E-05 4 0.2175583E-07 5 0.3655544E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.7123191E-05 1 0.1061648E-04 2 0.7813376E-05 3 0.1883306E-05 4 0.7333037E-07 5 0.2462949E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1075547E-14 1 0.1183797E-03 2 0.8426686E-04 3 0.5217983E-05 4 0.4176391E-07 5 0.6638872E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.2329679E-12 1 0.1486065E-04 2 0.3627034E-04 3 0.5611334E-05 4 0.8544657E-07 5 0.1091359E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.9402733E-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 0.5627552E-13 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -5 0 0.4582406E-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 0.3550094E-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 0.7702578E-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 -2 0 0.1260003E-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 0.2745295E-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 0.1234179E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.2013007E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.7568357E-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 0.5322866E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.2361952E-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 5 0 0.3022052E-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 0.1863310E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 7 0 0.8509044E-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 = 1.0005964 average vibrational energy (ev) = 0.002820 average rotational energy (ev) = 0.351936 average diffraction energy (ev) = 0.031792 the reaction probability = -0.5963649D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 99691.6079 (a) ... Propagating the wavefunction 97768.3152 (b) Setup time 1721.3027 Saving the wave function for rerun 44.8273 Calculating averages 4.2792 Calculating and saving BK-coeffs 14.3974 Asymptotic analysis 5.4404 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 99558.5622 (a) ... FFTs along X and Y 4315.4198 Kinetic energy operation along Z 30773.5631 Kinetic energy operation along r 21525.2832 Potential energy multiplication 11016.3828 Legengre transforms 24361.6153 Shifting the wavefunction 1922.0812 Kinetic energy multiplications (xy) 433.8452 Absorbing the wavefunction 517.7461 Projection formalism 15.1279 Operations on specular grid 0.1738 ----------------------------------------------------- Sum 94881.2384 (b) ... Potential initialisation time 0.0000 Potential setup time 1695.7819 FFTs along X 2247.3323 FFTs along Y 2068.0876 Time spent on FGH for asympwf 0.4074 Ending date and time: Sat Aug 10 15:32:34 CEST 2019