Starting date and time: Tue Jul 30 15:02:10 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 20190730 at 150211.029 *** * 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: v0j6mj1-0.15eV-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.: 26 * Maximum Mj value in grid representation.: 26 * 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: 6 * Initial rotational quantum number Mj: 1 * 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: 6 * Mj in: 1 * Maximum J value in grid rep.: 26 * 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 = 27 ... * Setting up the angular grid module with JMax = 26 ... * 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 : 14 * JMax in basis set : 26 * JMin in basis set : 0 * Delta J in basis set : 2 * Grid has been set up for JIn = 6 , MjIn = 1 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.26941299E-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 = 14 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 = 104 iz = 103 iz = 105 iz = 106 iz = 108 iz = 107 iz = 109 iz = 110 iz = 112 iz = 111 iz = 113 iz = 114 iz = 116 iz = 115 iz = 117 iz = 118 iz = 120 iz = 119 iz = 121 iz = 122 iz = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 145 iz = 148 iz = 146 iz = 149 iz = 152 iz = 150 iz = 153 iz = 156 iz = 154 iz = 157 iz = 160 iz = 158 iz = 161 iz = 162 iz = 143 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_26_26. 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 = 0.18541056E+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 -0.295000 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.280528 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.251716 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.208825 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.152233 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.082430 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 0.000000 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 0.094393 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.200022 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.316113 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.441861 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.576445 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.719040 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.868830 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 1.025015 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 1.186821 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.353504 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.524353 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.698694 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.875892 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 2.055348 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.236505 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.418840 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.601868 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.785138 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.968230 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 0 26 -1.440808 3.150752 0.9869287D-07 0.1043847D-06 1.0000000 2.1075305 1 0 -4.377131 0.214430 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.228167 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.255516 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.296234 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.349961 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.416237 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.494510 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.584151 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.684470 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.794731 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.914166 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 1.041991 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 1.177414 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.319654 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.467942 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.621535 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.779720 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.941819 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 2.107188 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.275220 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.445340 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.617008 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.789708 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.962957 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 3.136298 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.309308 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 1 26 -1.109959 3.481601 0.2853172D-06 0.7800547D-06 1.0000000 2.2331972 energy initial v,j state = -4.591560 potential energy = -5.005752 rotational energy = 0.286014 vibrational energy = 0.128179 rovibrational energy = 0.414192 expectation value r = 1.504367 ******************************************************************************** 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 ******************************************************************************** 378 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 66 * initial rotational state in basis, ichn = 199 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 17886 * Index of initial rot-dif channel in basis, inchna = 10299 ******************************************************************************** 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 1.50436726 0.10000000E+01 0.50000000E+02 0.99999998 17.27377086 1.50437399 0.99999998E+00 0.10000000E+03 0.99999995 17.14754172 1.50438068 0.99999994E+00 0.15000000E+03 0.99999993 17.02131258 1.50438173 0.99999976E+00 0.20000000E+03 0.99999991 16.89508344 1.50438138 0.99999849E+00 0.25000000E+03 0.99999989 16.76885430 1.50437984 0.99998978E+00 0.30000000E+03 0.99999986 16.64262516 1.50437388 0.99993922E+00 0.35000000E+03 0.99999984 16.51639602 1.50436764 0.99969714E+00 0.40000000E+03 0.99999982 16.39016687 1.50437357 0.99874779E+00 0.45000000E+03 0.99999979 16.26393773 1.50438167 0.99569662E+00 0.50000000E+03 0.99999977 16.13770858 1.50438202 0.98760709E+00 0.55000000E+03 0.99999975 16.01147941 1.50438098 0.96972245E+00 0.60000000E+03 0.99999972 15.88525016 1.50437909 0.93629604E+00 0.65000000E+03 0.99999970 15.75902072 1.50437369 0.88265980E+00 0.70000000E+03 0.99999968 15.63279086 1.50436819 0.80756257E+00 0.75000000E+03 0.99999966 15.50656013 1.50437313 0.71431848E+00 0.80000000E+03 0.99999963 15.38032789 1.50438267 0.61002994E+00 0.85000000E+03 0.99999961 15.25409318 1.50438223 0.50340977E+00 0.90000000E+03 0.99999959 15.12785481 1.50438057 0.40241928E+00 0.95000000E+03 0.99999956 15.00161134 1.50437838 0.31270922E+00 0.10000000E+04 0.99999954 14.87536121 1.50437345 0.23716171E+00 0.10500000E+04 0.99999952 14.74910281 1.50436871 0.17627129E+00 0.11000000E+04 0.99999949 14.62283452 1.50437305 0.12891000E+00 0.11500000E+04 0.99999947 14.49655481 1.50438309 0.93104743E-01 0.12000000E+04 0.99999945 14.37026219 1.50438310 0.66633360E-01 0.12500000E+04 0.99999943 14.24395527 1.50437997 0.47394701E-01 0.13000000E+04 0.99999940 14.11763265 1.50437825 0.33589138E-01 0.13500000E+04 0.99999938 13.99129295 1.50437425 0.23771123E-01 0.14000000E+04 0.99999936 13.86493470 1.50437108 0.16830002E-01 0.14500000E+04 0.99999933 13.73855628 1.50437668 0.11939068E-01 0.15000000E+04 0.99999931 13.61215589 1.50438906 0.84968604E-02 0.15500000E+04 0.99999929 13.48573147 1.50439354 0.60728884E-02 0.16000000E+04 0.99999926 13.35928065 1.50439359 0.43625351E-02 0.16500000E+04 0.99999924 13.23280072 1.50439914 0.31518915E-02 0.17000000E+04 0.99999922 13.10628857 1.50440397 0.22914444E-02 0.17500000E+04 0.99999920 12.97974071 1.50441258 0.16769322E-02 0.18000000E+04 0.99999917 12.85315325 1.50443094 0.12356808E-02 0.18500000E+04 0.99999915 12.72652190 1.50445812 0.91698012E-03 0.19000000E+04 0.99999913 12.59984204 1.50448056 0.68536682E-03 0.19500000E+04 0.99999910 12.47310871 1.50449826 0.51596013E-03 0.20000000E+04 0.99999908 12.34631671 1.50452384 0.39123483E-03 0.20500000E+04 0.99999906 12.21946061 1.50455120 0.29879154E-03 0.21000000E+04 0.99999903 12.09253480 1.50458224 0.22981287E-03 0.21500000E+04 0.99999901 11.96553353 1.50462309 0.17799601E-03 0.22000000E+04 0.99999899 11.83845093 1.50467223 0.13881044E-03 0.22500000E+04 0.99999897 11.71128106 1.50471686 0.10898057E-03 0.23000000E+04 0.99999894 11.58401788 1.50475493 0.86124802E-04 0.23500000E+04 0.99999892 11.45665528 1.50479944 0.68500109E-04 0.24000000E+04 0.99999890 11.32918712 1.50484723 0.54823658E-04 0.24500000E+04 0.99999887 11.20160717 1.50489560 0.44145466E-04 0.25000000E+04 0.99999885 11.07390918 1.50495334 0.35757836E-04 0.25500000E+04 0.99999883 10.94608686 1.50501686 0.29130464E-04 0.26000000E+04 0.99999880 10.81813396 1.50507635 0.23863687E-04 0.26500000E+04 0.99999878 10.69004425 1.50512754 0.19654346E-04 0.27000000E+04 0.99999876 10.56181163 1.50518358 0.16272120E-04 0.27500000E+04 0.99999874 10.43343020 1.50524541 0.13539866E-04 0.28000000E+04 0.99999871 10.30489434 1.50530651 0.11321331E-04 0.28500000E+04 0.99999869 10.17619885 1.50537670 0.95109789E-05 0.29000000E+04 0.99999867 10.04733910 1.50545314 0.80266205E-05 0.29500000E+04 0.99999864 9.91831120 1.50552688 0.68036899E-05 0.30000000E+04 0.99999862 9.78911222 1.50559354 0.57920031E-05 0.30500000E+04 0.99999860 9.65974041 1.50566599 0.49512637E-05 0.31000000E+04 0.99999857 9.53019549 1.50574852 0.42496089E-05 0.31500000E+04 0.99999855 9.40047895 1.50583401 0.36615882E-05 0.32000000E+04 0.99999853 9.27059437 1.50593069 0.31668042E-05 0.32500000E+04 0.99999850 9.14054787 1.50604023 0.27488501E-05 0.33000000E+04 0.99999848 9.01034843 1.50615286 0.23944619E-05 0.33500000E+04 0.99999846 8.88000845 1.50626793 0.20928550E-05 0.34000000E+04 0.99999843 8.74954416 1.50639684 0.18352255E-05 0.34500000E+04 0.99999841 8.61897619 1.50655009 0.16143803E-05 0.35000000E+04 0.99999839 8.48833014 1.50672204 0.14244411E-05 0.35500000E+04 0.99999836 8.35763714 1.50691993 0.12603481E-05 0.36000000E+04 0.99999834 8.22693450 1.50715278 0.11185756E-05 0.36500000E+04 0.99999831 8.09626629 1.50741245 0.99551118E-06 0.37000000E+04 0.99999829 7.96568405 1.50770247 0.88832953E-06 0.37500000E+04 0.99999826 7.83524741 1.50803636 0.79468149E-06 0.38000000E+04 0.99999824 7.70502468 1.50842993 0.71263318E-06 0.38500000E+04 0.99999821 7.57509350 1.50888197 0.64058505E-06 0.39000000E+04 0.99999819 7.44554139 1.50939884 0.57718732E-06 0.39500000E+04 0.99999816 7.31646622 1.50999357 0.52107458E-06 0.40000000E+04 0.99999813 7.18797667 1.51066209 0.47166464E-06 0.40500000E+04 0.99999810 7.06019253 1.51140500 0.42788320E-06 0.41000000E+04 0.99999806 6.93324494 1.51223562 0.38898409E-06 0.41500000E+04 0.99999802 6.80727645 1.51316528 0.35431455E-06 0.42000000E+04 0.99999797 6.68244097 1.51419221 0.32331404E-06 0.42500000E+04 0.99999790 6.55890358 1.51531056 0.29552771E-06 0.43000000E+04 0.99999782 6.43684012 1.51652471 0.27060548E-06 0.43500000E+04 0.99999771 6.31643671 1.51782353 0.24807360E-06 0.44000000E+04 0.99999756 6.19788906 1.51919144 0.22806564E-06 0.44500000E+04 0.99999735 6.08140165 1.52062684 0.21010048E-06 0.45000000E+04 0.99999708 5.96718674 1.52212438 0.19389697E-06 0.45500000E+04 0.99999672 5.85546329 1.52366947 0.17920616E-06 0.46000000E+04 0.99999624 5.74645566 1.52523978 0.16583636E-06 0.46500000E+04 0.99999562 5.64039229 1.52682242 0.15364889E-06 0.47000000E+04 0.99999483 5.53750416 1.52839849 0.14253592E-06 0.47500000E+04 0.99999383 5.43802327 1.52994243 0.13240292E-06 0.48000000E+04 0.99999257 5.34218096 1.53144112 0.12316647E-06 0.48500000E+04 0.99999103 5.25020610 1.53288479 0.11475799E-06 0.49000000E+04 0.99998915 5.16232338 1.53425679 0.10711820E-06 0.49500000E+04 0.99998690 5.07875141 1.53553720 0.99977389E-07 0.50000000E+04 0.99998423 4.99970086 1.53671208 0.93668639E-07 0.50500000E+04 0.99998112 4.92537273 1.53777090 0.87892527E-07 0.51000000E+04 0.99997754 4.85595655 1.53869801 0.82555577E-07 0.51500000E+04 0.99997347 4.79162875 1.53948716 0.77583553E-07 0.52000000E+04 0.99996891 4.73255111 1.54013916 0.72930233E-07 0.52500000E+04 0.99996385 4.67886934 1.54065097 0.68576931E-07 0.53000000E+04 0.99995832 4.63071186 1.54101819 0.64514429E-07 0.53500000E+04 0.99995236 4.58818876 1.54123956 0.60740473E-07 0.54000000E+04 0.99994600 4.55139103 1.54131881 0.57253792E-07 0.54500000E+04 0.99993932 4.52039007 1.54125710 0.54032914E-07 0.55000000E+04 0.99993238 4.49523742 1.54105928 0.51070572E-07 0.55500000E+04 0.99992525 4.47596479 1.54073557 0.48159882E-07 0.56000000E+04 0.99991804 4.46258431 1.54029332 0.45613195E-07 0.56500000E+04 0.99991082 4.45508897 1.53973713 0.43253811E-07 0.57000000E+04 0.99990368 4.45345327 1.53907326 0.41061665E-07 0.57500000E+04 0.99989669 4.45763400 1.53831127 0.38934989E-07 0.58000000E+04 0.99988994 4.46757112 1.53746126 0.36986878E-07 0.58500000E+04 0.99988346 4.48318882 1.53653426 0.35250993E-07 0.59000000E+04 0.99987731 4.50439655 1.53554493 0.33474492E-07 0.59500000E+04 0.99987151 4.53109016 1.53450587 0.31897028E-07 0.60000000E+04 0.99986609 4.56315316 1.53342651 0.30718441E-07 0.60500000E+04 0.99986104 4.60045783 1.53231582 0.29212168E-07 0.61000000E+04 0.99985637 4.64286656 1.53118313 0.27587690E-07 0.61500000E+04 0.99985208 4.69023302 1.53003711 0.26855341E-07 0.62000000E+04 0.99984815 4.74240343 1.52888494 0.25934377E-07 0.62500000E+04 0.99984457 4.79921777 1.52773441 0.23872076E-07 0.63000000E+04 0.99984132 4.86051096 1.52659173 0.22975566E-07 0.63500000E+04 0.99983840 4.92611405 1.52546080 0.23012841E-07 0.64000000E+04 0.99983578 4.99585528 1.52434555 0.21751046E-07 0.64500000E+04 0.99983345 5.06956117 1.52325067 0.20025213E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.65000000E+04 0.99983138 5.14705758 1.52218077 0.19946375E-07 0.65500000E+04 0.99982954 5.22817060 1.52113952 0.20482021E-07 0.66000000E+04 0.99982792 5.31272744 1.52012995 0.20080445E-07 0.66500000E+04 0.99982648 5.40055720 1.51915407 0.18343250E-07 0.67000000E+04 0.99982519 5.49149148 1.51821227 0.16921335E-07 0.67500000E+04 0.99982403 5.58536499 1.51730510 0.20829749E-07 0.68000000E+04 0.99982296 5.68201605 1.51643347 0.30044784E-07 0.68500000E+04 0.99982194 5.78128700 1.51559790 0.36246087E-07 0.69000000E+04 0.99982095 5.88302465 1.51479809 0.43702936E-07 0.69500000E+04 0.99981994 5.98708052 1.51403341 0.75856625E-07 0.70000000E+04 0.99981887 6.09331115 1.51330346 0.14043703E-06 0.70500000E+04 0.99981767 6.20157822 1.51260804 0.21715386E-06 0.71000000E+04 0.99981627 6.31174860 1.51194760 0.30683606E-06 0.71500000E+04 0.99981455 6.42369442 1.51132247 0.45627282E-06 0.72000000E+04 0.99981239 6.53729298 1.51073164 0.70043686E-06 0.72500000E+04 0.99980959 6.65242665 1.51017259 0.10156706E-05 0.73000000E+04 0.99980587 6.76898270 1.50964230 0.13723522E-05 0.73500000E+04 0.99980088 6.88685302 1.50913859 0.18060419E-05 0.74000000E+04 0.99979409 7.00593371 1.50866086 0.23865224E-05 0.74500000E+04 0.99978482 7.12612461 1.50820990 0.31267498E-05 0.75000000E+04 0.99977210 7.24732872 1.50778659 0.39708247E-05 0.75500000E+04 0.99975470 7.36945153 1.50739029 0.48865241E-05 0.76000000E+04 0.99973094 7.49240028 1.50701847 0.59360076E-05 0.76500000E+04 0.99969871 7.61608319 1.50666782 0.72252559E-05 0.77000000E+04 0.99965527 7.74040859 1.50633585 0.87930093E-05 0.77500000E+04 0.99959725 7.86528420 1.50602196 0.10589632E-04 0.78000000E+04 0.99952046 7.99061630 1.50572701 0.12595975E-04 0.78500000E+04 0.99941987 8.11630910 1.50545181 0.14942787E-04 0.79000000E+04 0.99928949 8.24226421 1.50519577 0.17871240E-04 0.79500000E+04 0.99912228 8.36838032 1.50495662 0.21581587E-04 0.80000000E+04 0.99891018 8.49455299 1.50473164 0.26208324E-04 0.80500000E+04 0.99864399 8.62067473 1.50451934 0.32050685E-04 0.81000000E+04 0.99831343 8.74663513 1.50432016 0.39875140E-04 0.81500000E+04 0.99790714 8.87232131 1.50413570 0.51009334E-04 0.82000000E+04 0.99741269 8.99761833 1.50396693 0.67237698E-04 0.82500000E+04 0.99681670 9.12240993 1.50381299 0.90843055E-04 0.83000000E+04 0.99610485 9.24657930 1.50367153 0.12503921E-03 0.83500000E+04 0.99526213 9.37001014 1.50354005 0.17458203E-03 0.84000000E+04 0.99427291 9.49258793 1.50341751 0.24609349E-03 0.84500000E+04 0.99312130 9.61420155 1.50330484 0.34792209E-03 0.85000000E+04 0.99179137 9.73474521 1.50320399 0.48988834E-03 0.85500000E+04 0.99026764 9.85412064 1.50311593 0.68340701E-03 0.86000000E+04 0.98853543 9.97223941 1.50303984 0.94198536E-03 0.86500000E+04 0.98658132 10.08902533 1.50297390 0.12814968E-02 0.87000000E+04 0.98439364 10.20441661 1.50291648 0.17196695E-02 0.87500000E+04 0.98196283 10.31836764 1.50286739 0.22748703E-02 0.88000000E+04 0.97928180 10.43085034 1.50282781 0.29648346E-02 0.88500000E+04 0.97634614 10.54185482 1.50279898 0.38060354E-02 0.89000000E+04 0.97315431 10.65138946 1.50278039 0.48137122E-02 0.89500000E+04 0.96970758 10.75948026 1.50276950 0.60019267E-02 0.90000000E+04 0.96601000 10.86616952 1.50276347 0.73831330E-02 0.90500000E+04 0.96206810 10.97151393 1.50276072 0.89672773E-02 0.91000000E+04 0.95789057 11.07558212 1.50276177 0.10760940E-01 0.91500000E+04 0.95348782 11.17845198 1.50276897 0.12767139E-01 0.92000000E+04 0.94887156 11.28020779 1.50278460 0.14985909E-01 0.92500000E+04 0.94405439 11.38093770 1.50280888 0.17415108E-01 0.93000000E+04 0.93904942 11.48073157 1.50283964 0.20050803E-01 0.93500000E+04 0.93387009 11.57967948 1.50287421 0.22886889E-01 0.94000000E+04 0.92852998 11.67787089 1.50291104 0.25914097E-01 0.94500000E+04 0.92304285 11.77539439 1.50295017 0.29119022E-01 0.95000000E+04 0.91742261 11.87233781 1.50299283 0.32483696E-01 0.95500000E+04 0.91168337 11.96878848 1.50303969 0.35985806E-01 0.96000000E+04 0.90583948 12.06483343 1.50308932 0.39599605E-01 0.96500000E+04 0.89990548 12.16055923 1.50313856 0.43297316E-01 0.97000000E+04 0.89389592 12.25605143 1.50318495 0.47050512E-01 0.97500000E+04 0.88782525 12.35139367 1.50322869 0.50831117E-01 0.98000000E+04 0.88170743 12.44666625 1.50327236 0.54611944E-01 0.98500000E+04 0.87555567 12.54194457 1.50331980 0.58366844E-01 0.99000000E+04 0.86938208 12.63729733 1.50337366 0.62070760E-01 0.99500000E+04 0.86319731 12.73278481 1.50343316 0.65699961E-01 0.10000000E+05 0.85701025 12.82845730 1.50349427 0.69232288E-01 0.10050000E+05 0.85082785 12.92435383 1.50355234 0.72647537E-01 0.10100000E+05 0.84465495 13.02050129 1.50360463 0.75927849E-01 0.10150000E+05 0.83849430 13.11691404 1.50365084 0.79057808E-01 0.10200000E+05 0.83234658 13.21359395 1.50369288 0.82024310E-01 0.10250000E+05 0.82621057 13.31053086 1.50373346 0.84816238E-01 0.10300000E+05 0.82008336 13.40770333 1.50377414 0.87423959E-01 0.10350000E+05 0.81396060 13.50507967 1.50381481 0.89839068E-01 0.10400000E+05 0.80783676 13.60261902 1.50385486 0.92054416E-01 0.10450000E+05 0.80170535 13.70027250 1.50389413 0.94064342E-01 0.10500000E+05 0.79555914 13.79798422 1.50393261 0.95865141E-01 0.10550000E+05 0.78939034 13.89569230 1.50397037 0.97455384E-01 0.10600000E+05 0.78319072 13.99332963 1.50400765 0.98835913E-01 0.10650000E+05 0.77695170 14.09082457 1.50404386 0.10000963E+00 0.10700000E+05 0.77066441 14.18810155 1.50407752 0.10098104E+00 0.10750000E+05 0.76431977 14.28508156 1.50410722 0.10175571E+00 0.10800000E+05 0.75790851 14.38168266 1.50413240 0.10233986E+00 0.10850000E+05 0.75142131 14.47782052 1.50415315 0.10274003E+00 0.10900000E+05 0.74484882 14.57340906 1.50417065 0.10296294E+00 0.10950000E+05 0.73818186 14.66836117 1.50418757 0.10301560E+00 0.11000000E+05 0.73141149 14.76258956 1.50420643 0.10290536E+00 0.11050000E+05 0.72452924 14.85600766 1.50422785 0.10264015E+00 0.11100000E+05 0.71752719 14.94853062 1.50425055 0.10222844E+00 0.11150000E+05 0.71039815 15.04007632 1.50427209 0.10167908E+00 0.11200000E+05 0.70313581 15.13056630 1.50429000 0.10100110E+00 0.11250000E+05 0.69573482 15.21992665 1.50430348 0.10020346E+00 0.11300000E+05 0.68819092 15.30808877 1.50431446 0.99294842E-01 0.11350000E+05 0.68050096 15.39498992 1.50432536 0.98283634E-01 0.11400000E+05 0.67266297 15.48057365 1.50433647 0.97177996E-01 0.11450000E+05 0.66467617 15.56479002 1.50434621 0.95985855E-01 0.11500000E+05 0.65654092 15.64759568 1.50435274 0.94714878E-01 0.11550000E+05 0.64825875 15.72895380 1.50435573 0.93372377E-01 0.11600000E+05 0.63983228 15.80883386 1.50435753 0.91965219E-01 0.11650000E+05 0.63126517 15.88721136 1.50436265 0.90499853E-01 0.11700000E+05 0.62256208 15.96406753 1.50437379 0.88982483E-01 0.11750000E+05 0.61372856 16.03938893 1.50438857 0.87419334E-01 0.11800000E+05 0.60477103 16.11316717 1.50440140 0.85816781E-01 0.11850000E+05 0.59569666 16.18539851 1.50440733 0.84181263E-01 0.11900000E+05 0.58651335 16.25608355 1.50440505 0.82519069E-01 0.11950000E+05 0.57722962 16.32522693 1.50439800 0.80836069E-01 0.12000000E+05 0.56785454 16.39283700 1.50439273 0.79137451E-01 0.12050000E+05 0.55839763 16.45892554 1.50439387 0.77427615E-01 0.12100000E+05 0.54886880 16.52350737 1.50440038 0.75710315E-01 0.12150000E+05 0.53927827 16.58660012 1.50440785 0.73988964E-01 0.12200000E+05 0.52963648 16.64822386 1.50441271 0.72266911E-01 0.12250000E+05 0.51995400 16.70840077 1.50441387 0.70547554E-01 0.12300000E+05 0.51024148 16.76715491 1.50441305 0.68834236E-01 0.12350000E+05 0.50050958 16.82451189 1.50441326 0.67130021E-01 0.12400000E+05 0.49076888 16.88049860 1.50441541 0.65437522E-01 0.12450000E+05 0.48102984 16.93514297 1.50441643 0.63758896E-01 0.12500000E+05 0.47130274 16.98847379 1.50441320 0.62096025E-01 0.12550000E+05 0.46159762 17.04052044 1.50440675 0.60450695E-01 0.12600000E+05 0.45192423 17.09131272 1.50440111 0.58824671E-01 0.12650000E+05 0.44229199 17.14088067 1.50440076 0.57219649E-01 0.12700000E+05 0.43270998 17.18925442 1.50440786 0.55637191E-01 0.12750000E+05 0.42318686 17.23646398 1.50441922 0.54078676E-01 0.12800000E+05 0.41373091 17.28253918 1.50442640 0.52545294E-01 0.12850000E+05 0.40434996 17.32750950 1.50442263 0.51038002E-01 0.12900000E+05 0.39505141 17.37140402 1.50440929 0.49557501E-01 0.12950000E+05 0.38584223 17.41425135 1.50439416 0.48104280E-01 0.13000000E+05 0.37672893 17.45607957 1.50438643 0.46678717E-01 0.13050000E+05 0.36771759 17.49691619 1.50439195 0.45281210E-01 0.13100000E+05 0.35881384 17.53678812 1.50440816 0.43912217E-01 0.13150000E+05 0.35002288 17.57572169 1.50442377 0.42572208E-01 0.13200000E+05 0.34134947 17.61374263 1.50442736 0.41261543E-01 0.13250000E+05 0.33279796 17.65087604 1.50441677 0.39980368E-01 0.13300000E+05 0.32437230 17.68714647 1.50439871 0.38728637E-01 0.13350000E+05 0.31607602 17.72257789 1.50438343 0.37506230E-01 0.13400000E+05 0.30791228 17.75719376 1.50438021 0.36313042E-01 0.13450000E+05 0.29988388 17.79101697 1.50439086 0.35149007E-01 0.13500000E+05 0.29199325 17.82406993 1.50440703 0.34014044E-01 0.13550000E+05 0.28424247 17.85637450 1.50441748 0.32908014E-01 0.13600000E+05 0.27663330 17.88795201 1.50441744 0.31830696E-01 0.13650000E+05 0.26916717 17.91882323 1.50440887 0.30781804E-01 0.13700000E+05 0.26184520 17.94900833 1.50439662 0.29761033E-01 0.13750000E+05 0.25466824 17.97852691 1.50438747 0.28768080E-01 0.13800000E+05 0.24763683 18.00739796 1.50438588 0.27802632E-01 0.13850000E+05 0.24075124 18.03563986 1.50438964 0.26864354E-01 0.13900000E+05 0.23401151 18.06327033 1.50439418 0.25952873E-01 0.13950000E+05 0.22741743 18.09030649 1.50439872 0.25067768E-01 0.14000000E+05 0.22096858 18.11676479 1.50440369 0.24208578E-01 0.14050000E+05 0.21466431 18.14266108 1.50440672 0.23374816E-01 0.14100000E+05 0.20850378 18.16801055 1.50440599 0.22565989E-01 0.14150000E+05 0.20248601 18.19282779 1.50440160 0.21781604E-01 0.14200000E+05 0.19660980 18.21712680 1.50439269 0.21021162E-01 0.14250000E+05 0.19087385 18.24092102 1.50438123 0.20284173E-01 0.14300000E+05 0.18527670 18.26422336 1.50437527 0.19570152E-01 0.14350000E+05 0.17981676 18.28704628 1.50438111 0.18878609E-01 0.14400000E+05 0.17449236 18.30940174 1.50439546 0.18209016E-01 0.14450000E+05 0.16930170 18.33130128 1.50441002 0.17560805E-01 0.14500000E+05 0.16424290 18.35275602 1.50441735 0.16933398E-01 0.14550000E+05 0.15931401 18.37377664 1.50441106 0.16326248E-01 0.14600000E+05 0.15451300 18.39437345 1.50439174 0.15738851E-01 0.14650000E+05 0.14983778 18.41455632 1.50437172 0.15170739E-01 0.14700000E+05 0.14528620 18.43433476 1.50436469 0.14621457E-01 0.14750000E+05 0.14085609 18.45371790 1.50437343 0.14090546E-01 0.14800000E+05 0.13654522 18.47271451 1.50439198 0.13577554E-01 0.14850000E+05 0.13235133 18.49133305 1.50441134 0.13082027E-01 0.14900000E+05 0.12827216 18.50958164 1.50441967 0.12603512E-01 0.14950000E+05 0.12430541 18.52746811 1.50440986 0.12141535E-01 0.15000000E+05 0.12044878 18.54500004 1.50438934 0.11695597E-01 0.15050000E+05 0.11669996 18.56218470 1.50437205 0.11265189E-01 0.15100000E+05 0.11305665 18.57902915 1.50436554 0.10849820E-01 0.15150000E+05 0.10951654 18.59554021 1.50437146 0.10449030E-01 0.15200000E+05 0.10607733 18.61172448 1.50438801 0.10062387E-01 0.15250000E+05 0.10273675 18.62758836 1.50440545 0.96894654E-02 0.15300000E+05 0.09949251 18.64313807 1.50441159 0.93298366E-02 0.15350000E+05 0.09634238 18.65837964 1.50440535 0.89830707E-02 0.15400000E+05 0.09328411 18.67331895 1.50439340 0.86487510E-02 0.15450000E+05 0.09031550 18.68796171 1.50438015 0.83264704E-02 0.15500000E+05 0.08743436 18.70231350 1.50437072 0.80158201E-02 0.15550000E+05 0.08463854 18.71637974 1.50437199 0.77163884E-02 0.15600000E+05 0.08192591 18.73016575 1.50438234 0.74277744E-02 0.15650000E+05 0.07929438 18.74367672 1.50439260 0.71496063E-02 0.15700000E+05 0.07674187 18.75691772 1.50439947 0.68815413E-02 0.15750000E+05 0.07426634 18.76989372 1.50440361 0.66232496E-02 0.15800000E+05 0.07186581 18.78260961 1.50440095 0.63744028E-02 0.15850000E+05 0.06953830 18.79507016 1.50439063 0.61346761E-02 0.15900000E+05 0.06728188 18.80728006 1.50438007 0.59037619E-02 0.15950000E+05 0.06509465 18.81924392 1.50437363 0.56813743E-02 0.16000000E+05 0.06297474 18.83096628 1.50437051 0.54672386E-02 0.16050000E+05 0.06092034 18.84245157 1.50437508 0.52610794E-02 0.16100000E+05 0.05892965 18.85370417 1.50439050 0.50626178E-02 0.16150000E+05 0.05700092 18.86472837 1.50440662 0.48715825E-02 0.16200000E+05 0.05513242 18.87552839 1.50441156 0.46877174E-02 0.16250000E+05 0.05332247 18.88610837 1.50440424 0.45107776E-02 0.16300000E+05 0.05156943 18.89647239 1.50438729 0.43405203E-02 0.16350000E+05 0.04987169 18.90662447 1.50436555 0.41767019E-02 0.16400000E+05 0.04822766 18.91656853 1.50435401 0.40190861E-02 0.16450000E+05 0.04663581 18.92630845 1.50436531 0.38674502E-02 0.16500000E+05 0.04509463 18.93584803 1.50439116 0.37215838E-02 0.16550000E+05 0.04360265 18.94519100 1.50441364 0.35812811E-02 0.16600000E+05 0.04215844 18.95434104 1.50442230 0.34463359E-02 0.16650000E+05 0.04076058 18.96330177 1.50441134 0.33165397E-02 0.16700000E+05 0.03940772 18.97207673 1.50438226 0.31916848E-02 0.16750000E+05 0.03809851 18.98066941 1.50435411 0.30715726E-02 0.16800000E+05 0.03683165 18.98908324 1.50434872 0.29560231E-02 0.16850000E+05 0.03560587 18.99732158 1.50436680 0.28448751E-02 0.16900000E+05 0.03441993 19.00538774 1.50439470 0.27379759E-02 0.16950000E+05 0.03327263 19.01328497 1.50441955 0.26351679E-02 0.17000000E+05 0.03216278 19.02101646 1.50442664 0.25362852E-02 0.17050000E+05 0.03108925 19.02858532 1.50440692 0.24411612E-02 0.17100000E+05 0.03005091 19.03599464 1.50437415 0.23496396E-02 0.17150000E+05 0.02904669 19.04324740 1.50435296 0.22615799E-02 0.17200000E+05 0.02807551 19.05034653 1.50435286 0.21768581E-02 0.17250000E+05 0.02713636 19.05729487 1.50437046 0.20953636E-02 0.17300000E+05 0.02622823 19.06409521 1.50439894 0.20169923E-02 0.17350000E+05 0.02535014 19.07075025 1.50442150 0.19416355E-02 0.17400000E+05 0.02450116 19.07726262 1.50442008 0.18691708E-02 0.17450000E+05 0.02368036 19.08363490 1.50439835 0.17994619E-02 0.17500000E+05 0.02288685 19.08986957 1.50437495 0.17323735E-02 0.17550000E+05 0.02211975 19.09596904 1.50436031 0.16677917E-02 0.17600000E+05 0.02137823 19.10193565 1.50435897 0.16056365E-02 0.17650000E+05 0.02066146 19.10777169 1.50437521 0.15458568E-02 0.17700000E+05 0.01996864 19.11347939 1.50439969 0.14884066E-02 0.17750000E+05 0.01929902 19.11906092 1.50441321 0.14332182E-02 0.17800000E+05 0.01865182 19.12451843 1.50441067 0.13801887E-02 0.17850000E+05 0.01802634 19.12985402 1.50439964 0.13291922E-02 0.17900000E+05 0.01742185 19.13506976 1.50438321 0.12801072E-02 0.17950000E+05 0.01683769 19.14016767 1.50436697 0.12328418E-02 0.18000000E+05 0.01627317 19.14514974 1.50436430 0.11873415E-02 0.18050000E+05 0.01572767 19.15001792 1.50437717 0.11435775E-02 0.18100000E+05 0.01520055 19.15477412 1.50439287 0.11015257E-02 0.18150000E+05 0.01469120 19.15942025 1.50440445 0.10611466E-02 0.18200000E+05 0.01419906 19.16395816 1.50441130 0.10223725E-02 0.18250000E+05 0.01372353 19.16838968 1.50440638 0.98510817E-03 0.18300000E+05 0.01326408 19.17271661 1.50438865 0.94924700E-03 0.18350000E+05 0.01282017 19.17694067 1.50437256 0.91469733E-03 0.18400000E+05 0.01239128 19.18106359 1.50436814 0.88140250E-03 0.18450000E+05 0.01197692 19.18508701 1.50437289 0.84934224E-03 0.18500000E+05 0.01157659 19.18901258 1.50438595 0.81851317E-03 0.18550000E+05 0.01118983 19.19284190 1.50440556 0.78890188E-03 0.18600000E+05 0.01081619 19.19657656 1.50441721 0.76046718E-03 0.18650000E+05 0.01045521 19.20021811 1.50441003 0.73314103E-03 0.18700000E+05 0.01010649 19.20376809 1.50439264 0.70684456E-03 0.18750000E+05 0.00976960 19.20722800 1.50437643 0.68150789E-03 0.18800000E+05 0.00944415 19.21059935 1.50436603 0.65708250E-03 0.18850000E+05 0.00912975 19.21388360 1.50436914 0.63354179E-03 0.18900000E+05 0.00882603 19.21708223 1.50438923 0.61087230E-03 0.18950000E+05 0.00853263 19.22019669 1.50441149 0.58906187E-03 0.19000000E+05 0.00824920 19.22322842 1.50441887 0.56809020E-03 0.19050000E+05 0.00797539 19.22617879 1.50441182 0.54792447E-03 0.19100000E+05 0.00771089 19.22904916 1.50439618 0.52852103E-03 0.19150000E+05 0.00745538 19.23184082 1.50437618 0.50983216E-03 0.19200000E+05 0.00720855 19.23455502 1.50436501 0.49181544E-03 0.19250000E+05 0.00697010 19.23719300 1.50437435 0.47444112E-03 0.19300000E+05 0.00673975 19.23975597 1.50439574 0.45769323E-03 0.19350000E+05 0.00651723 19.24224512 1.50441256 0.44156376E-03 0.19400000E+05 0.00630226 19.24466161 1.50441974 0.42604379E-03 0.19450000E+05 0.00609459 19.24700653 1.50441535 0.41111671E-03 0.19500000E+05 0.00589397 19.24928095 1.50439699 0.39675682E-03 0.19550000E+05 0.00570015 19.25148589 1.50437669 0.38293257E-03 0.19600000E+05 0.00551291 19.25362229 1.50437146 0.36961198E-03 0.19650000E+05 0.00533202 19.25569111 1.50438139 0.35676773E-03 0.19700000E+05 0.00515726 19.25769324 1.50439652 0.34438031E-03 0.19750000E+05 0.00498841 19.25962959 1.50441287 0.33243794E-03 0.19800000E+05 0.00482529 19.26150100 1.50442388 0.32093357E-03 0.19850000E+05 0.00466768 19.26330831 1.50441802 0.30986014E-03 0.19900000E+05 0.00451541 19.26505226 1.50439939 0.29920694E-03 0.19950000E+05 0.00436828 19.26673358 1.50438401 0.28895852E-03 0.20000000E+05 0.00422612 19.26835292 1.50437814 0.27909594E-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 -0.004123 2.28330 2 0.1554312 -0.021733 1.73504 3 0.1597487 -0.025094 1.20851 4 0.1640662 -0.014516 0.69422 5 0.1683837 0.002387 0.18400 6 0.1727013 0.015151 -0.32486 7 0.1770188 0.016628 -0.82744 8 0.1813363 0.007170 -1.31438 9 0.1856539 -0.005848 -1.77946 10 0.1899714 -0.013090 -2.22461 11 0.1942889 -0.009787 -2.65820 12 0.1986065 0.000806 -3.08910 13 0.2029240 0.009858 2.76305 14 0.2072415 0.009987 2.33776 15 0.2115591 0.001529 1.92731 16 0.2158766 -0.007523 1.53486 17 0.2201941 -0.008636 1.15464 18 0.2245117 -0.000961 0.77744 19 0.2288292 0.007491 0.39917 20 0.2331467 0.007789 0.02505 21 0.2374643 -0.000336 -0.33608 22 0.2417818 -0.007784 -0.68205 23 0.2460993 -0.006070 -1.01978 24 0.2504169 0.002690 -1.35764 25 0.2547344 0.007898 -1.69614 26 0.2590519 0.003206 -2.02727 27 0.2633695 -0.005343 -2.34467 28 0.2676870 -0.006690 -2.65182 29 0.2720045 0.000875 -2.95766 30 0.2763221 0.007169 3.01768 31 0.2806396 0.003662 2.71455 32 0.2849571 -0.004694 2.42368 33 0.2892746 -0.006152 2.14281 34 0.2935922 0.001209 1.86299 35 0.2979097 0.006559 1.58071 36 0.3022272 0.002041 1.30300 37 0.3065448 -0.005513 1.03705 38 0.3108623 -0.004710 0.77937 39 0.3151798 0.003085 0.52084 40 0.3194974 0.005757 0.26010 41 0.3238149 -0.000743 0.00581 42 0.3281324 -0.006001 -0.23701 43 0.3324500 -0.001670 -0.47502 44 0.3367675 0.005108 -0.71632 45 0.3410850 0.003299 -0.95755 46 0.3454026 -0.003942 -1.18916 47 0.3497201 -0.004516 -1.41140 48 0.3540376 0.002386 -1.63407 49 0.3583552 0.004926 -1.86049 50 0.3626727 -0.001222 -2.08151 51 0.3669902 -0.005425 -2.29123 52 0.3713078 -0.000461 -2.49747 53 0.3756253 0.004876 -2.70855 54 0.3799428 0.001209 -2.91857 55 0.3842604 -0.004813 -3.11753 56 0.3885779 -0.002364 2.97368 57 0.3928954 0.004058 2.77746 58 0.3972129 0.002726 2.57893 59 0.4015305 -0.003854 2.39027 60 0.4058480 -0.003444 2.21114 61 0.4101655 0.003213 2.02882 62 0.4144831 0.003610 1.84168 63 0.4188006 -0.003028 1.66319 64 0.4231181 -0.004105 1.49621 65 0.4274357 0.002352 1.32699 66 0.4317532 0.003745 1.15112 67 0.4360707 -0.002734 0.98313 68 0.4403883 -0.004422 0.82823 69 0.4447058 0.002017 0.67124 70 0.4490233 0.003796 0.50585 71 0.4533409 -0.002655 0.34854 72 0.4576584 -0.004377 0.20595 73 0.4619759 0.002106 0.06051 74 0.4662935 0.003652 -0.09501 75 0.4706110 -0.002766 -0.24100 76 0.4749285 -0.003788 -0.37073 77 0.4792461 0.002825 -0.50565 78 0.4835636 0.003499 -0.65237 79 0.4878811 -0.002992 -0.78640 80 0.4921987 -0.003029 -0.90284 81 0.4965162 0.003323 -1.02844 82 0.5008337 0.002597 -1.16672 83 0.5051512 -0.003625 -1.28706 84 0.5094688 -0.002217 -1.38991 85 0.5137863 0.003655 -1.50831 86 0.5181038 0.001481 -1.63837 87 0.5224214 -0.003983 -1.74324 88 0.5267389 -0.001121 -1.83374 89 0.5310564 0.003776 -1.94807 90 0.5353740 0.000243 -2.06857 91 0.5396915 -0.003958 -2.15544 92 0.5440090 0.000335 -2.23665 93 0.5483266 0.004029 -2.35089 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43844175D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9900161E+00 0.4017554E-02 0.2898479E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.9003984E-03 0 21 2 -2 0.2762174E-04 0 26 2 -1 0.3556632E-03 0 32 2 0 0.2762616E-02 0 37 2 1 0.1423685E-02 0 42 2 2 0.5188188E-04 0 13 4 -4 0.5529425E-06 0 17 4 -3 0.1039520E-04 0 22 4 -2 0.8049675E-04 0 27 4 -1 0.4243040E-03 0 33 4 0 0.2944962E-02 0 38 4 1 0.1814425E-01 0 43 4 2 0.2015383E-02 0 47 4 3 0.4379846E-03 0 51 4 4 0.6043301E-04 0 7 6 -6 0.7054502E-08 0 10 6 -5 0.1530233E-06 0 14 6 -4 0.2349341E-06 0 18 6 -3 0.1585121E-04 0 23 6 -2 0.1716393E-04 0 28 6 -1 0.5436514E-02 0 34 6 0 0.1769904E-02 0 39 6 1 0.9330029E+00 0 44 6 2 0.1507514E-01 0 48 6 3 0.4913980E-02 0 52 6 4 0.1333676E-03 0 55 6 5 0.9808076E-05 0 58 6 6 0.2644093E-06 0 3 8 -8 0.6518526E-14 0 5 8 -7 0.2649804E-16 0 8 8 -6 0.1679152E-18 0 11 8 -5 0.5613995E-09 0 15 8 -4 0.7781980E-18 0 19 8 -3 0.1834383E-17 0 24 8 -2 0.1040593E-10 0 29 8 -1 0.1346075E-17 0 35 8 0 0.5218624E-18 0 40 8 1 0.1303880E-06 0 45 8 2 0.8272659E-18 0 49 8 3 0.7681043E-18 0 53 8 4 0.2002628E-09 0 56 8 5 0.7939547E-17 0 59 8 6 0.3364204E-18 0 61 8 7 0.1633302E-09 0 63 8 8 0.2588067E-17 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.0000000E+00 1 21 2 -2 0.0000000E+00 1 26 2 -1 0.0000000E+00 1 32 2 0 0.0000000E+00 1 37 2 1 0.0000000E+00 1 42 2 2 0.0000000E+00 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1495131E-15 1 0.3969195E-03 2 0.4302763E-03 3 0.6736414E-04 4 0.5246709E-05 5 0.4573457E-06 6 0.9708902E-07 7 0.2626458E-07 8 0.1109819E-07 9 0.0000000E+00 v, j, mj = 0 2 -2 0 0.6883353E-09 1 0.6080328E-06 2 0.7138483E-05 3 0.1413741E-04 4 0.5170374E-05 5 0.5393972E-06 6 0.1943555E-07 7 0.4994570E-08 8 0.2924758E-08 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.3790098E-14 1 0.4004488E-04 2 0.1819503E-03 3 0.1182482E-03 4 0.1421550E-04 5 0.1137182E-05 6 0.5442787E-07 7 0.7093645E-08 8 0.5570569E-08 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.2119866E-15 1 0.1524711E-02 2 0.1099482E-02 3 0.1303957E-03 4 0.6209284E-05 5 0.1558104E-05 6 0.2166463E-06 7 0.2159071E-07 8 0.2041671E-07 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.3472409E-03 1 0.6181441E-03 2 0.2628507E-03 3 0.1644392E-03 4 0.2864878E-04 5 0.2305278E-05 6 0.4593045E-07 7 0.8235425E-08 8 0.1970038E-08 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.4200844E-16 1 0.1959560E-04 2 0.2500095E-04 3 0.2551889E-05 4 0.3356276E-05 5 0.1323124E-05 6 0.4756817E-07 7 0.2814883E-08 8 0.3658304E-08 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.7623774E-16 1 0.8743787E-09 2 0.9054659E-07 3 0.2719132E-06 4 0.1374805E-06 5 0.2426685E-07 6 0.1378050E-07 7 0.1408057E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2411621E-15 1 0.2069410E-06 2 0.4039351E-05 3 0.4923702E-05 4 0.1002097E-05 5 0.1146229E-06 6 0.7307919E-07 7 0.3540276E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1971893E-07 1 0.3611045E-05 2 0.4772215E-04 3 0.2490454E-04 4 0.3964033E-05 5 0.1774784E-06 6 0.8981994E-07 7 0.7966492E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.2543035E-14 1 0.1501325E-03 2 0.2433057E-03 3 0.2950256E-04 4 0.1242862E-05 5 0.1082445E-06 6 0.4956704E-08 7 0.7103584E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.4053427E-15 1 0.2718807E-02 2 0.1822808E-03 3 0.3043017E-04 4 0.1311777E-04 5 0.2869218E-06 6 0.2069027E-07 7 0.1888157E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.7452008E-02 1 0.9181231E-02 2 0.1436992E-02 3 0.7183836E-04 4 0.1900508E-05 5 0.2502573E-06 6 0.1121404E-07 7 0.1333906E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.5301680E-16 1 0.5468477E-03 2 0.1209873E-02 3 0.2455352E-03 4 0.1287393E-04 5 0.1824418E-06 6 0.4651259E-07 7 0.2428253E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.1331887E-14 1 0.5327956E-04 2 0.2196565E-03 3 0.1475089E-03 4 0.1705831E-04 5 0.4545327E-06 6 0.1795657E-07 7 0.8860630E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.8940902E-09 1 0.7785749E-06 2 0.1916907E-04 3 0.3288997E-04 4 0.7303597E-05 5 0.2725659E-06 6 0.1255298E-07 7 0.5784589E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.5721226E-17 1 0.7114480E-09 2 0.7576509E-10 3 0.5022470E-09 4 0.4214909E-09 5 0.5343551E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6707318E-08 1 0.2124826E-07 2 0.3664213E-07 3 0.7238397E-08 4 0.4938697E-07 5 0.3180019E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1463933E-16 1 0.4429154E-07 2 0.8903286E-07 3 0.5981726E-07 4 0.1923986E-07 5 0.2255257E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2212876E-16 1 0.4248219E-05 2 0.8818664E-05 3 0.9599746E-06 4 0.1641198E-05 5 0.1831544E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.3539534E-07 1 0.1073935E-04 2 0.5647924E-05 3 0.6927141E-06 4 0.4280741E-07 5 0.5735140E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3009105E-16 1 0.4373038E-02 2 0.1030657E-02 3 0.2882951E-04 4 0.3783778E-05 5 0.2053613E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.4334172E-17 1 0.1480647E-02 2 0.2788174E-03 3 0.1015837E-04 4 0.2786521E-06 5 0.2882174E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.6001161E+00 1 0.3044612E+00 2 0.2757254E-01 3 0.8387306E-03 4 0.1334935E-04 5 0.9039585E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.5273887E-18 1 0.1214045E-01 2 0.2833768E-02 3 0.9885272E-04 4 0.2050185E-05 5 0.1524186E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.4438634E-16 1 0.3254860E-02 2 0.1565238E-02 3 0.8872979E-04 4 0.5073557E-05 5 0.7879704E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2487786E-06 1 0.2181044E-04 2 0.9505652E-04 3 0.1526891E-04 4 0.8571619E-06 5 0.1257376E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1386013E-16 1 0.2296575E-05 2 0.4438034E-05 3 0.1619286E-05 4 0.1122524E-05 5 0.3316565E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1458913E-16 1 0.3976942E-07 2 0.7482289E-07 3 0.4171473E-07 4 0.2088583E-07 5 0.8721638E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.6518526E-14 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2649804E-16 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1679152E-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 = 0 8 -5 0 0.5613995E-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 = 0 8 -4 0 0.7781980E-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 = 0 8 -3 0 0.1834383E-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 = 0 8 -2 0 0.1040593E-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 = 0 8 -1 0 0.1346075E-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 = 0 8 0 0 0.5218624E-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 = 0 8 1 0 0.1303880E-06 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 = 0 8 2 0 0.8272659E-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 = 0 8 3 0 0.7681043E-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 = 0 8 4 0 0.2002628E-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 = 0 8 5 0 0.7939547E-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 = 0 8 6 0 0.3364204E-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 = 0 8 7 0 0.1633302E-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 = 0 8 8 0 0.2588067E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9900161 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.289848 average diffraction energy (ev) = 0.004018 the reaction probability = 0.9983946D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43272747D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1005628E+01 0.4784495E-02 0.2823604E+00 1 0.3054245E-07 0.1719012E-01 0.1207554E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.3160421E-02 0 21 2 -2 0.7314594E-04 0 26 2 -1 0.1360040E-02 0 32 2 0 0.8226641E-02 0 37 2 1 0.3532542E-02 0 42 2 2 0.3503163E-03 0 13 4 -4 0.7249117E-05 0 17 4 -3 0.8398389E-04 0 22 4 -2 0.5041670E-03 0 27 4 -1 0.2345370E-02 0 33 4 0 0.8417993E-02 0 38 4 1 0.3535708E-01 0 43 4 2 0.6307649E-02 0 47 4 3 0.1668466E-02 0 51 4 4 0.3564758E-03 0 7 6 -6 0.1885781E-07 0 10 6 -5 0.1880139E-06 0 14 6 -4 0.1133362E-05 0 18 6 -3 0.4502198E-04 0 23 6 -2 0.5830173E-04 0 28 6 -1 0.1094435E-01 0 34 6 0 0.3847082E-02 0 39 6 1 0.8737905E+00 0 44 6 2 0.3357466E-01 0 48 6 3 0.1078139E-01 0 52 6 4 0.7433946E-03 0 55 6 5 0.3618904E-04 0 58 6 6 0.9068582E-06 0 3 8 -8 0.1075505E-10 0 5 8 -7 0.2612386E-10 0 8 8 -6 0.1016997E-09 0 11 8 -5 0.4583517E-07 0 15 8 -4 0.1698271E-08 0 19 8 -3 0.4225245E-06 0 24 8 -2 0.1614386E-06 0 29 8 -1 0.1038997E-05 0 35 8 0 0.6912840E-06 0 40 8 1 0.4714598E-04 0 45 8 2 0.2879856E-05 0 49 8 3 0.6783988E-06 0 53 8 4 0.5799362E-07 0 56 8 5 0.7082909E-06 0 59 8 6 0.7920507E-08 0 61 8 7 0.1681077E-07 0 63 8 8 0.1101963E-09 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.2202152E-07 1 21 2 -2 0.1135147E-10 1 26 2 -1 0.6092941E-10 1 32 2 0 0.6429952E-10 1 37 2 1 0.7923514E-08 1 42 2 2 0.4608359E-09 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1170974E-14 1 0.1624962E-02 2 0.1375665E-02 3 0.1434898E-03 4 0.1479381E-04 5 0.1189109E-05 6 0.2758269E-06 7 0.2719123E-07 8 0.1596546E-07 9 0.2776830E-08 v, j, mj = 0 2 -2 0 0.8308444E-08 1 0.3295406E-05 2 0.2058916E-04 3 0.3181601E-04 4 0.1414041E-04 5 0.3157305E-05 6 0.1311004E-06 7 0.5516892E-08 8 0.2448659E-08 9 0.2815659E-09 v, j, mj = 0 2 -1 0 0.6793479E-13 1 0.2334345E-03 2 0.7434655E-03 3 0.3401239E-03 4 0.3942170E-04 5 0.3408280E-05 6 0.1627293E-06 7 0.1365607E-07 8 0.9424277E-08 9 0.1083643E-09 v, j, mj = 0 2 0 0 0.1346578E-14 1 0.5281112E-02 2 0.2710660E-02 3 0.2181927E-03 4 0.1365436E-04 5 0.2503961E-05 6 0.4823386E-06 7 0.2414860E-07 8 0.1151244E-07 9 0.2527671E-09 v, j, mj = 0 2 1 0 0.1217591E-02 1 0.1471361E-02 2 0.4272178E-03 3 0.3403032E-03 4 0.6895729E-04 5 0.6803053E-05 6 0.3002064E-06 7 0.4389328E-08 8 0.3953466E-08 9 0.3650636E-10 v, j, mj = 0 2 2 0 0.4217726E-15 1 0.1397224E-03 2 0.1824930E-03 3 0.2043424E-04 4 0.3858817E-05 5 0.3430505E-05 6 0.3642177E-06 7 0.8897672E-08 8 0.4087955E-08 9 0.9538632E-10 v, j, mj = 0 4 -4 0 0.1237470E-14 1 0.3826938E-08 2 0.1002200E-05 3 0.3999016E-05 4 0.2029142E-05 5 0.1322902E-06 6 0.6401338E-07 7 0.1725149E-07 8 0.1376817E-08 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.6366849E-14 1 0.1212585E-05 2 0.3274424E-04 3 0.4037310E-04 4 0.9010314E-05 5 0.5748739E-06 6 0.5690411E-07 7 0.9692721E-08 8 0.2186553E-08 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.5553527E-07 1 0.3509629E-04 2 0.2746836E-03 3 0.1734144E-03 4 0.2016010E-04 5 0.6223452E-06 6 0.1068271E-06 7 0.2607291E-07 8 0.1731236E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.7470188E-13 1 0.8793222E-03 2 0.1265501E-02 3 0.1845266E-03 4 0.1517924E-04 5 0.8215139E-06 6 0.1359611E-07 7 0.3529729E-08 8 0.1971550E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.4371024E-14 1 0.7775079E-02 2 0.3238990E-03 3 0.2761912E-03 4 0.4141755E-04 5 0.1322183E-05 6 0.5947061E-07 7 0.2016739E-07 8 0.4489338E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1753856E-01 1 0.1520409E-01 2 0.2381224E-02 3 0.2174808E-03 4 0.1429372E-04 5 0.1415248E-05 6 0.1871949E-07 7 0.5700067E-08 8 0.7902839E-09 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.8399618E-15 1 0.2069399E-02 2 0.3496116E-02 3 0.6936181E-03 4 0.4705176E-04 5 0.1400225E-05 6 0.3705596E-07 7 0.2638081E-07 8 0.3997196E-09 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2687418E-13 1 0.1515331E-03 2 0.7955407E-03 3 0.6206252E-03 4 0.9701353E-04 5 0.3719054E-05 6 0.2452292E-07 7 0.9347343E-08 8 0.3015944E-09 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1211610E-09 1 0.1642097E-05 2 0.7446375E-04 3 0.1984048E-03 4 0.7668963E-04 5 0.5215009E-05 6 0.5242131E-07 7 0.6432043E-08 8 0.1572849E-08 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1243849E-16 1 0.3536700E-09 2 0.5071481E-09 3 0.1530743E-08 4 0.1236615E-08 5 0.1305736E-07 6 0.2172271E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.7181279E-08 1 0.1312991E-07 2 0.5484679E-07 3 0.2977048E-07 4 0.5534550E-07 5 0.9771294E-08 6 0.1796862E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.3170969E-16 1 0.8970832E-07 2 0.4790177E-06 3 0.4093587E-06 4 0.5369745E-07 5 0.9710032E-07 6 0.4479857E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4358651E-15 1 0.1153636E-04 2 0.2725697E-04 3 0.3981244E-05 4 0.2176633E-05 5 0.6945776E-07 6 0.1304111E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.4962218E-07 1 0.2366062E-04 2 0.3097951E-04 3 0.3514824E-05 4 0.5262489E-07 5 0.4301028E-07 6 0.1516981E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3240531E-14 1 0.9003322E-02 2 0.1853092E-02 3 0.7914447E-04 4 0.8499604E-05 5 0.6217179E-07 6 0.2303585E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2827116E-15 1 0.3354141E-02 2 0.4531272E-03 3 0.3845878E-04 4 0.1344462E-05 5 0.8458588E-08 6 0.2588353E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5815084E+00 1 0.2591411E+00 2 0.3133271E-01 3 0.1775576E-02 4 0.3228600E-04 5 0.2933511E-06 6 0.2755954E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2084730E-15 1 0.2744565E-01 2 0.5898638E-02 3 0.2190896E-03 4 0.1117000E-04 5 0.1010437E-06 6 0.1247238E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.5395388E-14 1 0.5534640E-02 2 0.4756769E-02 3 0.4768342E-03 4 0.1307258E-04 5 0.5746881E-07 6 0.1411374E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.3428993E-06 1 0.9263703E-04 2 0.4930914E-03 3 0.1502333E-03 4 0.6462237E-05 5 0.6089079E-06 6 0.1880498E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.6789645E-15 1 0.3369835E-05 2 0.1705736E-04 3 0.1392817E-04 4 0.1615634E-05 5 0.6901828E-07 6 0.1490289E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8691594E-16 1 0.5363151E-07 2 0.2745841E-06 3 0.3500603E-06 4 0.8250773E-07 5 0.1278098E-06 6 0.1826478E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1653177E-12 1 0.1296270E-11 2 0.7943644E-11 3 0.1349821E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1589228E-16 1 0.2151295E-11 2 0.1965471E-10 3 0.4317832E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.2631729E-17 1 0.5623177E-10 2 0.4094899E-10 3 0.4518897E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.9348392E-08 1 0.1817794E-07 2 0.1785824E-07 3 0.4506002E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1564072E-17 1 0.9822394E-09 2 0.6470482E-09 3 0.6898387E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2593573E-16 1 0.3877277E-06 2 0.3446282E-07 3 0.3340747E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1078322E-07 1 0.8423311E-07 2 0.6215729E-07 3 0.4264980E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1958582E-16 1 0.9829459E-06 2 0.5445332E-07 3 0.1597399E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.6544662E-17 1 0.2768133E-06 2 0.3982817E-06 3 0.1618896E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2961565E-04 1 0.1701956E-04 2 0.5072326E-06 3 0.3539050E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1328804E-17 1 0.2131872E-05 2 0.7288163E-06 3 0.1916779E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1740948E-16 1 0.5275126E-06 2 0.1486457E-06 3 0.2240480E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4132967E-08 1 0.1721431E-07 2 0.3211097E-07 3 0.4535370E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.3987170E-16 1 0.6291692E-06 2 0.7845760E-07 3 0.6641415E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2301625E-17 1 0.6161827E-08 2 0.1625715E-08 3 0.1329654E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4871706E-08 1 0.4324352E-08 2 0.7361111E-08 3 0.2536005E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1337438E-16 1 0.4885902E-10 2 0.3756414E-10 3 0.2377311E-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 0 0 0 0.5774973E-19 1 0.3377976E-08 2 0.1864354E-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 = 1 2 -2 0 0.2505406E-11 1 0.8846066E-11 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 2 -1 0 0.9897994E-17 1 0.6092940E-10 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 2 0 0 0.5771869E-18 1 0.6429952E-10 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 2 1 0 0.6052885E-08 1 0.1870629E-08 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2183028E-17 1 0.4608359E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0056285 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.282360 average diffraction energy (ev) = 0.004784 the reaction probability = -0.5628527D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42701318D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9971494E+00 0.5744572E-02 0.2714853E+00 1 0.7375753E-06 0.1767207E-01 0.3642415E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.6790499E-02 0 21 2 -2 0.1116376E-03 0 26 2 -1 0.3024781E-02 0 32 2 0 0.1686691E-01 0 37 2 1 0.6636010E-02 0 42 2 2 0.1100930E-02 0 13 4 -4 0.6039096E-04 0 17 4 -3 0.4427472E-03 0 22 4 -2 0.2151141E-02 0 27 4 -1 0.8573682E-02 0 33 4 0 0.1999750E-01 0 38 4 1 0.4675543E-01 0 43 4 2 0.1252148E-01 0 47 4 3 0.4206403E-02 0 51 4 4 0.1085404E-02 0 7 6 -6 0.4837768E-07 0 10 6 -5 0.3510314E-06 0 14 6 -4 0.8980888E-05 0 18 6 -3 0.1705938E-03 0 23 6 -2 0.2201269E-03 0 28 6 -1 0.1933586E-01 0 34 6 0 0.6867906E-02 0 39 6 1 0.7520857E+00 0 44 6 2 0.6099351E-01 0 48 6 3 0.2275593E-01 0 52 6 4 0.3518672E-02 0 55 6 5 0.2515956E-03 0 58 6 6 0.8702643E-05 0 3 8 -8 0.1061878E-09 0 5 8 -7 0.4956603E-09 0 8 8 -6 0.1539764E-08 0 11 8 -5 0.1443317E-06 0 15 8 -4 0.7907061E-08 0 19 8 -3 0.3209172E-06 0 24 8 -2 0.2598197E-06 0 29 8 -1 0.2542869E-05 0 35 8 0 0.1433910E-04 0 40 8 1 0.5293680E-03 0 45 8 2 0.5796408E-04 0 49 8 3 0.6407600E-06 0 53 8 4 0.2505456E-06 0 56 8 5 0.5526115E-06 0 59 8 6 0.2430602E-07 0 61 8 7 0.9363786E-07 0 63 8 8 0.7341954E-08 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.1168888E-06 1 21 2 -2 0.2795733E-07 1 26 2 -1 0.4765440E-07 1 32 2 0 0.1022512E-06 1 37 2 1 0.2968734E-06 1 42 2 2 0.1459502E-06 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1666557E-14 1 0.4154515E-02 2 0.2478348E-02 3 0.1220124E-03 4 0.2971101E-04 5 0.4648420E-05 6 0.1113163E-05 7 0.1311695E-06 8 0.1825849E-07 9 0.1085290E-08 v, j, mj = 0 2 -2 0 0.2776909E-07 1 0.1714536E-04 2 0.4850644E-04 3 0.2637962E-04 4 0.1291553E-04 5 0.5985087E-05 6 0.6522678E-06 7 0.2013836E-07 8 0.4568667E-08 9 0.8574187E-09 v, j, mj = 0 2 -1 0 0.6320526E-12 1 0.8956041E-03 2 0.1654539E-02 3 0.4102475E-03 4 0.5756541E-04 5 0.6469114E-05 6 0.3184667E-06 7 0.2745045E-07 8 0.5400355E-08 9 0.4353448E-08 v, j, mj = 0 2 0 0 0.4322558E-14 1 0.1240015E-01 2 0.4240390E-02 3 0.1967869E-03 4 0.2328874E-04 5 0.5051404E-05 6 0.1175249E-05 7 0.5514730E-07 8 0.7325122E-08 9 0.1246696E-08 v, j, mj = 0 2 1 0 0.2881420E-02 1 0.2710900E-02 2 0.5875495E-03 3 0.3570429E-03 4 0.8813986E-04 5 0.1032335E-04 6 0.6150279E-06 7 0.1613230E-07 8 0.2090194E-08 9 0.9794740E-09 v, j, mj = 0 2 2 0 0.2177655E-14 1 0.4608577E-03 2 0.5344859E-03 3 0.7647818E-04 4 0.1529753E-04 5 0.1127439E-04 6 0.2442040E-05 7 0.8680859E-07 8 0.6877091E-08 9 0.9139178E-09 v, j, mj = 0 4 -4 0 0.7696803E-14 1 0.4981552E-07 2 0.7897865E-05 3 0.3151667E-04 4 0.1849020E-04 5 0.2308562E-05 6 0.1094185E-06 7 0.1475652E-07 8 0.3662663E-08 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.8115357E-13 1 0.5826338E-05 2 0.1829043E-03 3 0.2034234E-03 4 0.4788703E-04 5 0.2616451E-05 6 0.7396636E-07 7 0.1248286E-07 8 0.3319902E-08 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1008706E-06 1 0.1816990E-03 2 0.1222537E-02 3 0.6867579E-03 4 0.5790538E-04 5 0.2016884E-05 6 0.9609625E-07 7 0.2520597E-07 8 0.1926133E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.8645955E-12 1 0.3466532E-02 2 0.4319834E-02 3 0.7263091E-03 4 0.5814460E-04 5 0.2815594E-05 6 0.3440605E-07 7 0.7484525E-08 8 0.4934247E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.2874630E-13 1 0.1717535E-01 2 0.1486467E-02 3 0.1237456E-02 4 0.9376587E-04 5 0.4318798E-05 6 0.1217596E-06 7 0.1608154E-07 8 0.6129359E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.2977015E-01 1 0.1338904E-01 2 0.2924505E-02 3 0.6207674E-03 4 0.4708993E-04 5 0.3804752E-05 6 0.7136160E-07 7 0.4992229E-08 8 0.1375503E-08 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.3941249E-14 1 0.5005174E-02 2 0.6228646E-02 3 0.1174674E-02 4 0.1063868E-03 5 0.6365594E-05 6 0.2052439E-06 7 0.2329791E-07 8 0.4668830E-08 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2030064E-12 1 0.4044796E-03 2 0.2048265E-02 3 0.1490780E-02 4 0.2497514E-03 5 0.1291656E-04 6 0.2000053E-06 7 0.7628577E-08 8 0.3037360E-08 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.8625041E-08 1 0.3657217E-05 2 0.1646469E-03 3 0.5661647E-03 4 0.3100938E-03 5 0.3984033E-04 6 0.9776853E-06 7 0.1032759E-07 8 0.4606954E-08 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.4577018E-15 1 0.1079704E-07 2 0.9117615E-08 3 0.7678123E-08 4 0.7171849E-08 5 0.8005731E-08 6 0.3652952E-08 7 0.1954370E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.4002959E-08 1 0.7608364E-08 2 0.5054710E-07 3 0.1447131E-06 4 0.1136751E-06 5 0.1126608E-07 6 0.1771276E-07 7 0.1505924E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1538435E-14 1 0.2866673E-06 2 0.3638337E-05 3 0.4414553E-05 4 0.5587418E-06 5 0.6770832E-07 6 0.1482433E-07 7 0.5582448E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1364614E-13 1 0.2986000E-04 2 0.1103481E-03 3 0.2614583E-04 4 0.4177367E-05 5 0.5218187E-07 6 0.9220656E-08 7 0.1040712E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.8409718E-07 1 0.5785719E-04 2 0.1467833E-03 3 0.1451622E-04 4 0.7947423E-06 5 0.8799126E-07 6 0.2764151E-08 7 0.5630961E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1362640E-12 1 0.1708622E-01 2 0.2049465E-02 3 0.1812339E-03 4 0.1867691E-04 5 0.1071709E-06 6 0.1587250E-06 7 0.1732853E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3508295E-14 1 0.6391544E-02 2 0.3170012E-03 3 0.1561176E-03 4 0.3214582E-05 5 0.2042660E-07 6 0.8493235E-08 7 0.2945737E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5625151E+00 1 0.1568916E+00 2 0.3043332E-01 3 0.2206288E-02 4 0.3867520E-04 5 0.6582968E-06 6 0.3177500E-07 7 0.1532447E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2471544E-14 1 0.5338763E-01 2 0.7102037E-02 3 0.4546520E-03 4 0.4853335E-04 5 0.6450823E-06 6 0.1443662E-07 7 0.1775543E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1515079E-12 1 0.9345262E-02 2 0.1201802E-01 3 0.1359073E-02 4 0.3326816E-04 5 0.2762048E-06 6 0.2677498E-07 7 0.4240987E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.4703037E-06 1 0.3729115E-03 2 0.2133140E-02 3 0.9487332E-03 4 0.6203954E-04 5 0.1298837E-05 6 0.7873146E-07 7 0.2113028E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1926053E-13 1 0.2497099E-05 2 0.9591637E-04 3 0.1352880E-03 4 0.1745700E-04 5 0.3107722E-06 6 0.1246728E-06 7 0.1681456E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1654614E-14 1 0.2778108E-07 2 0.2089568E-05 3 0.4986198E-05 4 0.1514103E-05 5 0.5774205E-07 6 0.2471323E-07 7 0.2537682E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2532873E-12 1 0.6478270E-11 2 0.1010521E-10 3 0.6126472E-10 4 0.2808632E-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 8 -7 0 0.1481403E-16 1 0.7854959E-10 2 0.2474845E-09 3 0.1437904E-09 4 0.2583567E-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 8 -6 0 0.3507982E-18 1 0.6830075E-09 2 0.6901647E-09 3 0.1327478E-09 4 0.3384431E-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 8 -5 0 0.3882594E-07 1 0.5518043E-07 2 0.4884989E-07 3 0.1119357E-08 4 0.3560764E-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 8 -4 0 0.2494080E-16 1 0.3484819E-08 2 0.1401851E-08 3 0.2630543E-08 4 0.3898491E-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 8 -3 0 0.1282284E-16 1 0.3293556E-08 2 0.3107090E-06 3 0.5553969E-08 4 0.1360738E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1022749E-07 1 0.1265136E-06 2 0.7763827E-07 3 0.3959076E-07 4 0.5849594E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4272852E-16 1 0.1824602E-05 2 0.4848170E-06 3 0.2250676E-06 4 0.8382646E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.6294726E-18 1 0.1099971E-04 2 0.3200778E-05 3 0.1232043E-06 4 0.1541333E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3046549E-03 1 0.2182104E-03 2 0.5758104E-05 3 0.7348370E-06 4 0.9805712E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1971000E-17 1 0.5395948E-04 2 0.3909815E-05 3 0.4145463E-07 4 0.5332670E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.8495752E-16 1 0.2368298E-06 2 0.3638904E-06 3 0.3445519E-07 4 0.5584515E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1353025E-07 1 0.3403747E-07 2 0.1694686E-06 3 0.3111471E-07 4 0.2394548E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.7899132E-17 1 0.3438946E-07 2 0.5059086E-06 3 0.8165204E-08 4 0.4148244E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.7926380E-18 1 0.4970304E-08 2 0.1574555E-07 3 0.3079454E-08 4 0.5107096E-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 8 7 0 0.1202500E-07 1 0.2133911E-07 2 0.5713762E-07 3 0.2925358E-08 4 0.2107707E-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 8 8 0 0.4767005E-17 1 0.1555250E-08 2 0.3346153E-08 3 0.2093099E-08 4 0.3474516E-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 0 0 0 0.1879330E-16 1 0.6442599E-07 2 0.2927335E-07 3 0.2215411E-07 4 0.1035307E-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 2 -2 0 0.2669924E-09 1 0.3632945E-09 2 0.2213734E-07 3 0.5189706E-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 2 -1 0 0.1869703E-16 1 0.3616498E-07 2 0.9957717E-08 3 0.1531702E-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 2 0 0 0.6422271E-18 1 0.9064625E-08 2 0.9151332E-07 3 0.1673254E-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 2 1 0 0.9226536E-07 1 0.1587762E-06 2 0.4359528E-07 3 0.2236490E-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 2 2 0 0.1003829E-17 1 0.4429607E-07 2 0.9955082E-07 3 0.2103333E-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 = 0.9971502 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.271485 average diffraction energy (ev) = 0.005745 the reaction probability = 0.2849827D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42129889D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9976080E+00 0.7466965E-02 0.2603790E+00 1 0.1779117E-04 0.1249814E-01 0.2884320E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.9655707E-02 0 21 2 -2 0.2038806E-03 0 26 2 -1 0.4655634E-02 0 32 2 0 0.2626161E-01 0 37 2 1 0.9988393E-02 0 42 2 2 0.1953610E-02 0 13 4 -4 0.2788714E-03 0 17 4 -3 0.1602528E-02 0 22 4 -2 0.6306846E-02 0 27 4 -1 0.2131949E-01 0 33 4 0 0.3793403E-01 0 38 4 1 0.4759899E-01 0 43 4 2 0.1732591E-01 0 47 4 3 0.7267402E-02 0 51 4 4 0.1933570E-02 0 7 6 -6 0.2337911E-06 0 10 6 -5 0.2321184E-05 0 14 6 -4 0.7058475E-04 0 18 6 -3 0.6683862E-03 0 23 6 -2 0.7847761E-03 0 28 6 -1 0.3027189E-01 0 34 6 0 0.1084458E-01 0 39 6 1 0.6121851E+00 0 44 6 2 0.8912961E-01 0 48 6 3 0.4210935E-01 0 52 6 4 0.1196830E-01 0 55 6 5 0.1650294E-02 0 58 6 6 0.1300158E-03 0 3 8 -8 0.7210088E-09 0 5 8 -7 0.7241788E-09 0 8 8 -6 0.5811651E-08 0 11 8 -5 0.8995527E-07 0 15 8 -4 0.3389102E-07 0 19 8 -3 0.1142614E-05 0 24 8 -2 0.3049762E-05 0 29 8 -1 0.3066350E-04 0 35 8 0 0.8641871E-04 0 40 8 1 0.2909748E-02 0 45 8 2 0.4623896E-03 0 49 8 3 0.9099606E-05 0 53 8 4 0.1513585E-05 0 56 8 5 0.1619648E-05 0 59 8 6 0.2093063E-06 0 61 8 7 0.4841064E-07 0 63 8 8 0.2623622E-07 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.6497427E-05 1 21 2 -2 0.7421925E-07 1 26 2 -1 0.3022483E-06 1 32 2 0 0.1306716E-05 1 37 2 1 0.7646243E-05 1 42 2 2 0.1719850E-05 1 13 4 -4 0.3056479E-10 1 17 4 -3 0.3490141E-09 1 22 4 -2 0.2048900E-08 1 27 4 -1 0.6171329E-08 1 33 4 0 0.5672089E-08 1 38 4 1 0.1860042E-06 1 43 4 2 0.3625122E-07 1 47 4 3 0.6819529E-08 1 51 4 4 0.1120340E-08 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.5752552E-14 1 0.6798612E-02 2 0.2737362E-02 3 0.4611058E-04 4 0.5239742E-04 5 0.1506224E-04 6 0.5476012E-05 7 0.6559793E-06 8 0.2908124E-07 9 0.1720080E-08 v, j, mj = 0 2 -2 0 0.7241707E-07 1 0.5694047E-04 2 0.1222112E-03 3 0.2362079E-05 4 0.1553300E-04 5 0.5215212E-05 6 0.1411591E-05 7 0.1269748E-06 8 0.6326119E-08 9 0.1299303E-08 v, j, mj = 0 2 -1 0 0.3311668E-11 1 0.2263916E-02 2 0.2138949E-02 3 0.1503357E-03 4 0.9401183E-04 5 0.7998755E-05 6 0.3887869E-06 7 0.2152237E-07 8 0.6193296E-08 9 0.5999120E-08 v, j, mj = 0 2 0 0 0.3066421E-13 1 0.2027383E-01 2 0.5740466E-02 3 0.1697300E-03 4 0.6114608E-04 5 0.1271556E-04 6 0.3387267E-05 7 0.3209513E-06 8 0.1044458E-07 9 0.3647730E-08 v, j, mj = 0 2 1 0 0.4321311E-02 1 0.4486499E-02 2 0.9108953E-03 3 0.1472953E-03 4 0.1161875E-03 5 0.5857403E-05 6 0.3219616E-06 7 0.1938883E-07 8 0.3518802E-08 9 0.2755220E-08 v, j, mj = 0 2 2 0 0.1084511E-13 1 0.8859211E-03 2 0.8824964E-03 3 0.1047384E-03 4 0.3223523E-04 5 0.3433870E-04 6 0.1300234E-04 7 0.8567823E-06 8 0.1970913E-07 9 0.1004398E-08 v, j, mj = 0 4 -4 0 0.3679632E-13 1 0.6076214E-06 2 0.4417728E-04 3 0.1391802E-03 4 0.7964502E-04 5 0.1462700E-04 6 0.6158963E-06 7 0.1580511E-07 8 0.1882309E-08 9 0.6486292E-09 v, j, mj = 0 4 -3 0 0.6171574E-12 1 0.2217809E-04 2 0.7747263E-03 3 0.6673306E-03 4 0.1317484E-03 5 0.6432010E-05 6 0.9614920E-07 7 0.1154260E-07 8 0.4630026E-08 9 0.6429837E-09 v, j, mj = 0 4 -2 0 0.3510436E-06 1 0.7022699E-03 2 0.3965664E-02 3 0.1571957E-02 4 0.6394867E-04 5 0.2473347E-05 6 0.1610924E-06 7 0.1820304E-07 8 0.2790346E-08 9 0.2764913E-09 v, j, mj = 0 4 -1 0 0.5383080E-11 1 0.9492579E-02 2 0.9952386E-02 3 0.1788163E-02 4 0.8237816E-04 5 0.3830570E-05 6 0.1375050E-06 7 0.7199180E-08 8 0.4005393E-08 9 0.9083390E-09 v, j, mj = 0 4 0 0 0.1259987E-12 1 0.2770026E-01 2 0.7286284E-02 3 0.2834872E-02 4 0.1043011E-03 5 0.7855068E-05 6 0.4424044E-06 7 0.1032227E-07 8 0.3559480E-08 9 0.1384485E-08 v, j, mj = 0 4 1 0 0.3618429E-01 1 0.5701326E-02 2 0.4393978E-02 3 0.1255299E-02 4 0.5842365E-04 5 0.5406272E-05 6 0.2611152E-06 7 0.8329621E-08 8 0.2269510E-08 9 0.3894552E-09 v, j, mj = 0 4 2 0 0.1639719E-13 1 0.8429080E-02 2 0.7082125E-02 3 0.1577996E-02 4 0.2141800E-03 5 0.2133824E-04 6 0.1147938E-05 7 0.3844633E-07 8 0.4246294E-08 9 0.3672297E-09 v, j, mj = 0 4 3 0 0.7742201E-12 1 0.9802629E-03 2 0.3564017E-02 3 0.2311750E-02 4 0.3899029E-03 5 0.2101655E-04 6 0.4375808E-06 7 0.1211846E-07 8 0.3327741E-08 9 0.5809127E-09 v, j, mj = 0 4 4 0 0.5858231E-07 1 0.1109442E-04 2 0.2600306E-03 3 0.9837463E-03 4 0.5559232E-03 5 0.1163104E-03 6 0.6353092E-05 7 0.4817879E-07 8 0.4819226E-08 9 0.6503333E-09 v, j, mj = 0 6 -6 0 0.3245479E-14 1 0.5416938E-07 2 0.4917008E-07 3 0.7800563E-07 4 0.2743763E-07 5 0.1152281E-07 6 0.7545177E-08 7 0.5940422E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2818258E-07 1 0.3141530E-07 2 0.3445094E-06 3 0.1260532E-05 4 0.5910920E-06 5 0.4589194E-07 6 0.1321016E-07 7 0.6350140E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1728941E-13 1 0.5703634E-06 2 0.2727912E-04 3 0.3707532E-04 4 0.5519573E-05 5 0.1102990E-06 6 0.2569605E-07 7 0.4374051E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2145756E-12 1 0.7797990E-04 2 0.4400738E-03 3 0.1376071E-03 4 0.1252324E-04 5 0.1822030E-06 6 0.1591885E-07 7 0.4014490E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1718663E-06 1 0.1473550E-03 2 0.5565924E-03 3 0.7330013E-04 4 0.7021124E-05 5 0.3283289E-06 6 0.4431962E-08 7 0.2818604E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2071956E-11 1 0.2861333E-01 2 0.1072496E-02 3 0.5617141E-03 4 0.2421110E-04 5 0.6689049E-07 6 0.5888027E-07 7 0.1457297E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1946792E-13 1 0.9914283E-02 2 0.4523364E-03 3 0.4737643E-03 4 0.4008107E-05 5 0.1686396E-06 6 0.1258420E-07 7 0.6917054E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5212150E+00 1 0.5884591E-01 2 0.3078834E-01 3 0.1281290E-02 4 0.5236268E-04 5 0.2138871E-05 6 0.5241389E-07 7 0.2397068E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1197079E-13 1 0.8376790E-01 2 0.3616590E-02 3 0.1606958E-02 4 0.1360251E-03 5 0.2073978E-05 6 0.3937040E-07 7 0.2129099E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.2021341E-11 1 0.1680309E-01 2 0.2336627E-01 3 0.1889942E-02 4 0.4842666E-04 5 0.1600791E-05 6 0.2638621E-07 7 0.3439138E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.8643181E-06 1 0.1281630E-02 2 0.6889884E-02 3 0.3488820E-02 4 0.3002191E-03 5 0.6759390E-05 6 0.1140757E-06 7 0.9745376E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.2836736E-12 1 0.8860218E-06 2 0.5462339E-03 3 0.9093355E-03 4 0.1872077E-03 5 0.6547074E-05 6 0.6675459E-07 7 0.1673498E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2078330E-13 1 0.2095667E-06 2 0.1845081E-04 3 0.7501428E-04 4 0.3431523E-04 5 0.1970320E-05 6 0.4163399E-07 7 0.1397491E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1657367E-10 1 0.4226073E-10 2 0.1486555E-09 3 0.1878629E-09 4 0.2546544E-09 5 0.7100154E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3854022E-17 1 0.1028091E-09 2 0.1665008E-09 3 0.2199305E-09 4 0.1904883E-09 5 0.4445011E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.9322164E-17 1 0.4170365E-09 2 0.2077743E-08 3 0.2805389E-08 4 0.4742162E-09 5 0.3726546E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.9247931E-08 1 0.4832613E-07 2 0.2549899E-07 3 0.5191017E-08 4 0.1442058E-08 5 0.2491372E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5309311E-16 1 0.1974829E-08 2 0.2087668E-07 3 0.7026617E-08 4 0.3280848E-08 5 0.7320471E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.6642036E-16 1 0.8328224E-06 2 0.2473350E-06 3 0.5005998E-07 4 0.1152038E-07 5 0.8759619E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1587074E-07 1 0.1485817E-05 2 0.1439641E-05 3 0.3414462E-07 4 0.6781326E-07 5 0.6474510E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1316761E-14 1 0.2009288E-04 2 0.1020210E-04 3 0.2674995E-06 4 0.9834088E-07 5 0.2676559E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4051800E-17 1 0.7205947E-04 2 0.1401816E-04 3 0.2464204E-06 4 0.8881868E-07 5 0.5837421E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1713324E-02 1 0.1168741E-02 2 0.2728301E-04 3 0.1523485E-06 4 0.2371271E-06 5 0.1138186E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.8780090E-16 1 0.4257837E-03 2 0.3605635E-04 3 0.3330952E-06 4 0.2007790E-06 5 0.1569891E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3434393E-14 1 0.5287591E-05 2 0.3670898E-05 3 0.1092362E-06 4 0.2922534E-07 5 0.2655334E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4520655E-08 1 0.5510250E-06 2 0.8556307E-06 3 0.7484209E-07 4 0.2430226E-07 5 0.3263882E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5842014E-15 1 0.1177047E-05 2 0.2419822E-06 3 0.1681082E-06 4 0.2888344E-07 5 0.3626855E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3318385E-16 1 0.1440234E-06 2 0.3237600E-07 3 0.2234216E-07 4 0.9397096E-08 5 0.1167682E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2790206E-08 1 0.1016691E-07 2 0.1680771E-07 3 0.1345919E-07 4 0.4525694E-08 5 0.6609347E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.9334897E-17 1 0.3663826E-08 2 0.2900517E-08 3 0.1042422E-07 4 0.5809098E-08 5 0.3438551E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2753175E-15 1 0.3944585E-05 2 0.2281099E-05 3 0.2600262E-06 4 0.1100477E-07 5 0.7131194E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.8083477E-10 1 0.9500267E-09 2 0.5414810E-08 3 0.5684965E-07 4 0.1092393E-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 2 -1 0 0.3698065E-16 1 0.1728851E-06 2 0.8371427E-07 3 0.4357738E-07 4 0.2071549E-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 2 0 0 0.3084307E-16 1 0.8267234E-06 2 0.3817549E-06 3 0.8126067E-07 4 0.1697688E-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 2 1 0 0.2782445E-05 1 0.4511939E-05 2 0.3403224E-06 3 0.9669557E-08 4 0.1867449E-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 2 2 0 0.2359179E-17 1 0.1181385E-05 2 0.5190286E-06 3 0.1667503E-07 4 0.2761479E-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 4 -4 0 0.1841918E-17 1 0.3487515E-11 2 0.2707727E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.5798055E-18 1 0.3335168E-09 2 0.1549727E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -2 0 0.7685344E-10 1 0.1880528E-08 2 0.9151859E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.6367822E-17 1 0.5785072E-08 2 0.3862575E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.4841156E-18 1 0.5130983E-08 2 0.5411062E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1095687E-06 1 0.7083140E-07 2 0.5604131E-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 4 2 0 0.7820658E-18 1 0.3600274E-07 2 0.2484771E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.1049803E-16 1 0.6424044E-08 2 0.3954848E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.3721798E-09 1 0.7003111E-09 2 0.4784881E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9976258 average vibrational energy (ev) = 0.000009 average rotational energy (ev) = 0.260375 average diffraction energy (ev) = 0.007467 the reaction probability = 0.2374213D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41558461D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1001553E+01 0.1066369E-01 0.2521618E+00 1 0.6463353E-03 0.1751923E-01 0.2205589E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.9934205E-02 0 21 2 -2 0.6955685E-03 0 26 2 -1 0.6101864E-02 0 32 2 0 0.3334009E-01 0 37 2 1 0.1239652E-01 0 42 2 2 0.2127586E-02 0 13 4 -4 0.7853745E-03 0 17 4 -3 0.4251649E-02 0 22 4 -2 0.1326516E-01 0 27 4 -1 0.3845693E-01 0 33 4 0 0.5691417E-01 0 38 4 1 0.4422649E-01 0 43 4 2 0.1889922E-01 0 47 4 3 0.8989234E-02 0 51 4 4 0.2281197E-02 0 7 6 -6 0.1228293E-05 0 10 6 -5 0.2084334E-04 0 14 6 -4 0.4138462E-03 0 18 6 -3 0.2267593E-02 0 23 6 -2 0.2395090E-02 0 28 6 -1 0.4322919E-01 0 34 6 0 0.1648286E-01 0 39 6 1 0.4637953E+00 0 44 6 2 0.1071363E+00 0 48 6 3 0.6434313E-01 0 52 6 4 0.2875332E-01 0 55 6 5 0.6764782E-02 0 58 6 6 0.1207231E-02 0 3 8 -8 0.2023104E-08 0 5 8 -7 0.4023881E-08 0 8 8 -6 0.1531861E-07 0 11 8 -5 0.1258687E-06 0 15 8 -4 0.1784538E-06 0 19 8 -3 0.5440358E-06 0 24 8 -2 0.2115273E-04 0 29 8 -1 0.2222587E-03 0 35 8 0 0.3791832E-03 0 40 8 1 0.9064148E-02 0 45 8 2 0.2273381E-02 0 49 8 3 0.9259720E-04 0 53 8 4 0.1830101E-04 0 56 8 5 0.4244714E-05 0 59 8 6 0.2990168E-06 0 61 8 7 0.1621313E-06 0 63 8 8 0.6595929E-07 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.3270422E-03 1 21 2 -2 0.4814395E-06 1 26 2 -1 0.1079992E-04 1 32 2 0 0.7890841E-04 1 37 2 1 0.8263983E-04 1 42 2 2 0.1420875E-03 1 13 4 -4 0.2112987E-08 1 17 4 -3 0.1068842E-08 1 22 4 -2 0.9785098E-08 1 27 4 -1 0.4985665E-07 1 33 4 0 0.2406675E-06 1 38 4 1 0.3672166E-05 1 43 4 2 0.3615738E-06 1 47 4 3 0.1985238E-07 1 51 4 4 0.1894813E-07 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.4423439E-13 1 0.6796212E-02 2 0.2834471E-02 3 0.1683142E-03 4 0.7394697E-04 5 0.3473643E-04 6 0.2177229E-04 7 0.4598178E-05 8 0.1512086E-06 9 0.2631479E-08 v, j, mj = 0 2 -2 0 0.1613566E-06 1 0.1377809E-03 2 0.4138640E-03 3 0.8337029E-04 4 0.3785540E-04 5 0.1469775E-04 6 0.6759175E-05 7 0.1051185E-05 8 0.2721632E-07 9 0.1252443E-08 v, j, mj = 0 2 -1 0 0.1037200E-10 1 0.3371755E-02 2 0.2318936E-02 3 0.2158709E-03 4 0.1799763E-03 5 0.1433255E-04 6 0.8923373E-06 7 0.8600638E-07 8 0.1071728E-07 9 0.3724238E-08 v, j, mj = 0 2 0 0 0.2841561E-12 1 0.2229126E-01 2 0.1031006E-01 3 0.5459982E-03 4 0.1469366E-03 5 0.3254211E-04 6 0.1136456E-04 7 0.1837448E-05 8 0.8496841E-07 9 0.1517738E-08 v, j, mj = 0 2 1 0 0.3969897E-02 1 0.6930746E-02 2 0.1240065E-02 3 0.8424617E-04 4 0.1627787E-03 5 0.6544366E-05 6 0.1991922E-05 7 0.2371703E-06 8 0.7894643E-08 9 0.1855225E-08 v, j, mj = 0 2 2 0 0.5382943E-14 1 0.1083678E-02 2 0.8521953E-03 3 0.3443289E-04 4 0.4224128E-04 5 0.6727751E-04 6 0.4174807E-04 7 0.5893980E-05 8 0.1167532E-06 9 0.2564498E-08 v, j, mj = 0 4 -4 0 0.1590208E-12 1 0.4235557E-05 2 0.1643736E-03 3 0.4039802E-03 4 0.1744718E-03 5 0.3512624E-04 6 0.3111474E-05 7 0.7255249E-07 8 0.2486204E-08 9 0.5575495E-09 v, j, mj = 0 4 -3 0 0.3531874E-11 1 0.5832372E-04 2 0.2508055E-02 3 0.1466489E-02 4 0.2072907E-03 5 0.1100572E-04 6 0.4732040E-06 7 0.9130662E-08 8 0.2395788E-08 9 0.5339404E-09 v, j, mj = 0 4 -2 0 0.1478885E-05 1 0.2067989E-02 2 0.9168393E-02 3 0.1993842E-02 4 0.2914367E-04 5 0.3763287E-05 6 0.5175609E-06 7 0.2925016E-07 8 0.1619099E-08 9 0.4489707E-09 v, j, mj = 0 4 -1 0 0.2395358E-10 1 0.1849032E-01 2 0.1667576E-01 3 0.3252523E-02 4 0.3410011E-04 5 0.3926568E-05 6 0.2759556E-06 7 0.1049812E-07 8 0.8307286E-08 9 0.9252636E-09 v, j, mj = 0 4 0 0 0.3739310E-12 1 0.3134173E-01 2 0.2222140E-01 3 0.3299849E-02 4 0.3891485E-04 5 0.1097867E-04 6 0.1177971E-05 7 0.1108208E-06 8 0.5703227E-08 9 0.2851497E-08 v, j, mj = 0 4 1 0 0.2890112E-01 1 0.6284028E-02 2 0.7184733E-02 3 0.1795831E-02 4 0.4951999E-04 5 0.9991575E-05 6 0.1211539E-05 7 0.4666394E-07 8 0.1603852E-08 9 0.7570570E-09 v, j, mj = 0 4 2 0 0.9730086E-13 1 0.1039099E-01 2 0.5689708E-02 3 0.2431127E-02 4 0.3314027E-03 5 0.5117757E-04 6 0.4637726E-05 7 0.1655729E-06 8 0.4579811E-08 9 0.7722356E-09 v, j, mj = 0 4 3 0 0.1751065E-11 1 0.1851717E-02 2 0.4183527E-02 3 0.2454840E-02 4 0.4619438E-03 5 0.3592204E-04 6 0.1235019E-05 7 0.4492064E-07 8 0.4579204E-08 9 0.1314049E-09 v, j, mj = 0 4 4 0 0.1697527E-06 1 0.2394382E-04 2 0.3260058E-03 3 0.1197214E-02 4 0.5704105E-03 5 0.1472593E-03 6 0.1579670E-04 7 0.3882270E-06 8 0.6160484E-08 9 0.2763263E-08 v, j, mj = 0 6 -6 0 0.1999976E-13 1 0.7708590E-07 2 0.1073254E-06 3 0.5644295E-06 4 0.3964609E-06 5 0.4977872E-07 6 0.1291288E-07 7 0.1093431E-07 8 0.9364934E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1477952E-07 1 0.5996949E-07 2 0.1925668E-05 3 0.1262827E-04 4 0.5781888E-05 5 0.4102476E-06 6 0.1303249E-07 7 0.8523494E-08 8 0.9640068E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1006140E-12 1 0.7572383E-06 2 0.1660370E-03 3 0.2148306E-03 4 0.3117539E-04 5 0.1018798E-05 6 0.1551610E-07 7 0.9070266E-08 8 0.2636453E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1914043E-11 1 0.2035236E-03 2 0.1564911E-02 3 0.4717680E-03 4 0.2714896E-04 5 0.2162094E-06 6 0.2106126E-07 7 0.3055193E-08 8 0.4570387E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.3355543E-06 1 0.3465732E-03 2 0.1624304E-02 3 0.3934856E-03 4 0.2978685E-04 5 0.5911540E-06 6 0.8995915E-08 7 0.3985041E-08 8 0.1424973E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1460205E-10 1 0.3987526E-01 2 0.1932504E-02 3 0.1401179E-02 4 0.1990193E-04 5 0.2890577E-06 6 0.4843690E-07 7 0.1157182E-07 8 0.1645069E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.7178890E-13 1 0.1225591E-01 2 0.3232477E-02 3 0.9700468E-03 4 0.2353157E-04 5 0.8687093E-06 6 0.1740392E-07 7 0.4193817E-08 8 0.1078682E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.4118792E+00 1 0.2539672E-01 2 0.2606936E-01 3 0.2778975E-03 4 0.1674410E-03 5 0.4618884E-05 6 0.6651791E-07 7 0.9331314E-08 8 0.9103986E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3819666E-13 1 0.1002429E+00 2 0.2553308E-02 3 0.4160029E-02 4 0.1769070E-03 5 0.3089380E-05 6 0.7506445E-07 7 0.1244847E-07 8 0.3445559E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1498451E-10 1 0.3057862E-01 2 0.3280306E-01 3 0.8459373E-03 4 0.1086834E-03 5 0.6696840E-05 6 0.1219462E-06 7 0.4884988E-08 8 0.9421632E-09 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2274599E-05 1 0.3828508E-02 2 0.1706626E-01 3 0.7195768E-02 4 0.6340215E-03 5 0.2603157E-04 6 0.4427367E-06 7 0.8081483E-08 8 0.8525899E-09 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.2402535E-11 1 0.1403055E-04 2 0.2356255E-02 3 0.3385444E-02 4 0.9446965E-03 5 0.6355098E-04 6 0.7917159E-06 7 0.1179949E-07 8 0.5840494E-09 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1507091E-12 1 0.2253833E-05 2 0.1332180E-03 3 0.6293490E-03 4 0.3960525E-03 5 0.4563940E-04 6 0.6962900E-06 7 0.1631516E-07 8 0.5957340E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.6415552E-10 1 0.2892449E-09 2 0.4607511E-09 3 0.5396143E-09 4 0.3185368E-09 5 0.3014567E-09 6 0.4934508E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4047901E-16 1 0.4828935E-09 2 0.1112103E-08 3 0.1452534E-08 4 0.5031784E-09 5 0.4484114E-09 6 0.2476066E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1666319E-15 1 0.1854931E-08 2 0.8129211E-08 3 0.4259430E-08 4 0.5859104E-09 5 0.4195278E-09 6 0.6960183E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.3281243E-07 1 0.4615333E-07 2 0.3409765E-07 3 0.8073799E-08 4 0.2874354E-08 5 0.1801779E-08 6 0.5536070E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2864705E-15 1 0.4595364E-07 2 0.4931614E-07 3 0.6473916E-07 4 0.1206236E-07 5 0.6292914E-08 6 0.8954649E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.5287536E-14 1 0.2487187E-06 2 0.1769638E-06 3 0.9008552E-07 4 0.2523951E-07 5 0.2954294E-08 6 0.7395745E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2823857E-07 1 0.9304587E-05 2 0.1141249E-04 3 0.2585081E-06 4 0.1108459E-06 5 0.3638302E-07 6 0.1680268E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4258711E-13 1 0.1556192E-03 2 0.6622078E-04 3 0.3326742E-06 4 0.7433795E-07 5 0.1094604E-07 6 0.7131205E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4608726E-16 1 0.3251893E-03 2 0.5321052E-04 3 0.6739414E-06 4 0.9836974E-07 5 0.1071562E-07 6 0.4108905E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.5943987E-02 1 0.3087913E-02 2 0.3113798E-04 3 0.8642170E-06 4 0.2279834E-06 5 0.1680285E-07 6 0.6375548E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6923241E-15 1 0.2114160E-02 2 0.1572056E-03 3 0.1772861E-05 4 0.1620390E-06 5 0.7759299E-07 6 0.2860378E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.9608738E-13 1 0.2587946E-04 2 0.6280904E-04 3 0.3871430E-05 4 0.1399227E-07 5 0.2284170E-07 6 0.4477198E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3473307E-07 1 0.4569568E-05 2 0.1044365E-04 3 0.3108358E-05 4 0.1136349E-06 5 0.3059803E-07 6 0.4657786E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1711638E-13 1 0.1178710E-05 2 0.2270159E-05 3 0.7145906E-06 4 0.6210199E-07 5 0.1857289E-07 6 0.5803358E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3327884E-15 1 0.6605548E-07 2 0.1326358E-06 3 0.5882731E-07 4 0.3455956E-07 5 0.5785611E-08 6 0.1153039E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8611575E-08 1 0.1831541E-07 2 0.6978561E-07 3 0.5070431E-07 4 0.1111574E-07 5 0.3274143E-08 6 0.3245297E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8513022E-17 1 0.1236857E-07 2 0.1877770E-07 3 0.1861002E-07 4 0.8919402E-08 5 0.6878311E-08 6 0.4052851E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1954751E-14 1 0.1782015E-03 2 0.1316995E-03 3 0.1667776E-04 4 0.4476475E-06 5 0.1571070E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.5192914E-08 1 0.6231325E-07 2 0.3169719E-06 3 0.6669812E-07 4 0.2788583E-07 5 0.2377464E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1676688E-14 1 0.4775773E-05 2 0.5596548E-05 3 0.4166868E-06 4 0.9132834E-08 5 0.1779141E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1683971E-15 1 0.3163845E-04 2 0.4145130E-04 3 0.5702853E-05 4 0.1102706E-06 5 0.5541801E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2851119E-04 1 0.4882122E-04 2 0.4977297E-05 3 0.3032529E-06 4 0.2138279E-07 5 0.5486001E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3523139E-16 1 0.7760123E-04 2 0.5962811E-04 3 0.4780891E-05 4 0.7187251E-07 5 0.5355083E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.2312531E-16 1 0.2703881E-09 2 0.5607212E-09 3 0.1281877E-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 4 -3 0 0.1522107E-16 1 0.1537863E-09 2 0.3699668E-09 3 0.5450891E-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 4 -2 0 0.6869161E-09 1 0.1946320E-08 2 0.1801507E-08 3 0.5350356E-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 4 -1 0 0.2238889E-16 1 0.2264255E-07 2 0.1610482E-07 3 0.1110928E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.6399622E-17 1 0.8679058E-07 2 0.1366933E-06 3 0.1718356E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.1359811E-05 1 0.2070991E-05 2 0.1842142E-06 3 0.5714938E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 2 0 0.4959523E-17 1 0.2292346E-06 2 0.6130038E-07 3 0.7103888E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.4588304E-17 1 0.7564627E-08 2 0.3412288E-08 3 0.8875462E-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 4 4 0 0.1494105E-08 1 0.9651758E-09 2 0.3045404E-08 3 0.1344344E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0021990 average vibrational energy (ev) = 0.000329 average rotational energy (ev) = 0.252013 average diffraction energy (ev) = 0.010668 the reaction probability = -0.2198954D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40987032D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9963030E+00 0.1562953E-01 0.2481565E+00 1 0.5756789E-02 0.2449297E-01 0.3517579E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.9458431E-02 0 21 2 -2 0.2058050E-02 0 26 2 -1 0.8780936E-02 0 32 2 0 0.3750681E-01 0 37 2 1 0.1237318E-01 0 42 2 2 0.1823240E-02 0 13 4 -4 0.1526695E-02 0 17 4 -3 0.8528205E-02 0 22 4 -2 0.2080959E-01 0 27 4 -1 0.5268478E-01 0 33 4 0 0.6746905E-01 0 38 4 1 0.4285597E-01 0 43 4 2 0.1802157E-01 0 47 4 3 0.7691953E-02 0 51 4 4 0.2361488E-02 0 7 6 -6 0.1352300E-04 0 10 6 -5 0.1469962E-03 0 14 6 -4 0.1675915E-02 0 18 6 -3 0.6186253E-02 0 23 6 -2 0.5907803E-02 0 28 6 -1 0.5700337E-01 0 34 6 0 0.2385566E-01 0 39 6 1 0.3183516E+00 0 44 6 2 0.1078605E+00 0 48 6 3 0.7853287E-01 0 52 6 4 0.5147090E-01 0 55 6 5 0.1755232E-01 0 58 6 6 0.5545497E-02 0 3 8 -8 0.6099596E-08 0 5 8 -7 0.1454208E-07 0 8 8 -6 0.2587420E-07 0 11 8 -5 0.3642325E-06 0 15 8 -4 0.1675356E-05 0 19 8 -3 0.4606351E-05 0 24 8 -2 0.1103814E-03 0 29 8 -1 0.9429859E-03 0 35 8 0 0.1078959E-02 0 40 8 1 0.1846198E-01 0 45 8 2 0.6921548E-02 0 49 8 3 0.5630165E-03 0 53 8 4 0.1292644E-03 0 56 8 5 0.3045051E-04 0 59 8 6 0.2880145E-05 0 61 8 7 0.2699060E-06 0 63 8 8 0.3710390E-06 0 1 10 -10 0.1280395E-10 0 2 10 -9 0.2537775E-10 0 4 10 -8 0.6604316E-10 0 6 10 -7 0.1588142E-09 0 9 10 -6 0.1847869E-09 0 12 10 -5 0.5807529E-08 0 16 10 -4 0.1392480E-08 0 20 10 -3 0.2503760E-08 0 25 10 -2 0.1443366E-07 0 30 10 -1 0.3832879E-07 0 36 10 0 0.8136528E-07 0 41 10 1 0.7983877E-06 0 46 10 2 0.7225996E-07 0 50 10 3 0.7887447E-07 0 54 10 4 0.7581735E-08 0 57 10 5 0.7715093E-08 0 60 10 6 0.2335829E-08 0 62 10 7 0.5073307E-08 0 64 10 8 0.1179119E-08 0 65 10 9 0.1669384E-08 0 66 10 10 0.6552604E-09 1 31 0 0 0.1333008E-02 1 21 2 -2 0.3815004E-04 1 26 2 -1 0.9580946E-04 1 32 2 0 0.8851697E-03 1 37 2 1 0.7313355E-04 1 42 2 2 0.3220723E-02 1 13 4 -4 0.4959001E-08 1 17 4 -3 0.1867045E-07 1 22 4 -2 0.7396921E-07 1 27 4 -1 0.2530869E-05 1 33 4 0 0.1642457E-04 1 38 4 1 0.2479604E-04 1 43 4 2 0.6614761E-04 1 47 4 3 0.6540138E-06 1 51 4 4 0.1452286E-06 1 7 6 -6 0.2132274E-19 1 10 6 -5 0.8832203E-12 1 14 6 -4 0.1878788E-19 1 18 6 -3 0.6325584E-20 1 23 6 -2 0.2576073E-13 1 28 6 -1 0.5990542E-18 1 34 6 0 0.8296189E-19 1 39 6 1 0.7941392E-10 1 44 6 2 0.1283947E-19 1 48 6 3 0.3217368E-18 1 52 6 4 0.2644069E-12 1 55 6 5 0.3709220E-18 1 58 6 6 0.1690721E-18 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.3197002E-12 1 0.3979260E-02 2 0.4675445E-02 3 0.5780043E-03 4 0.8970473E-04 5 0.5341578E-04 6 0.5891809E-04 7 0.2179310E-04 8 0.1870815E-05 9 0.1803690E-07 v, j, mj = 0 2 -2 0 0.2737086E-06 1 0.2907519E-03 2 0.1506452E-02 3 0.1413106E-03 4 0.4094462E-04 5 0.3513187E-04 6 0.3383815E-04 7 0.8941849E-05 8 0.4014980E-06 9 0.4581843E-08 v, j, mj = 0 2 -1 0 0.3078336E-10 1 0.2588970E-02 2 0.4894982E-02 3 0.1046695E-02 4 0.1900054E-03 5 0.5158160E-04 6 0.7367973E-05 7 0.1289058E-05 8 0.4195505E-07 9 0.3217053E-08 v, j, mj = 0 2 0 0 0.1203132E-11 1 0.1413285E-01 2 0.2045989E-01 3 0.2603346E-02 4 0.1817935E-03 5 0.8729665E-04 6 0.3209487E-04 7 0.8821255E-05 8 0.7105499E-06 9 0.7656220E-08 v, j, mj = 0 2 1 0 0.2410859E-02 1 0.7738264E-02 2 0.1161592E-02 3 0.8579157E-03 4 0.1524777E-03 5 0.3800523E-04 6 0.1155280E-04 7 0.2455793E-05 8 0.5758706E-07 9 0.2992310E-08 v, j, mj = 0 2 2 0 0.1534955E-12 1 0.1000932E-02 2 0.4439606E-03 3 0.1134575E-03 4 0.8045520E-04 5 0.8810494E-04 6 0.7388958E-04 7 0.2136383E-04 8 0.1065180E-05 9 0.1123187E-07 v, j, mj = 0 4 -4 0 0.4366747E-12 1 0.1412001E-04 2 0.3948734E-03 3 0.8219220E-03 4 0.2298007E-03 5 0.5554731E-04 6 0.9793239E-05 7 0.6249645E-06 8 0.1166616E-07 9 0.1787629E-08 v, j, mj = 0 4 -3 0 0.1702227E-10 1 0.8752346E-04 2 0.6001353E-02 3 0.2189006E-02 4 0.2152575E-03 5 0.3251849E-04 6 0.2483390E-05 7 0.5734968E-07 8 0.4307153E-08 9 0.9397211E-09 v, j, mj = 0 4 -2 0 0.4493443E-05 1 0.4250251E-02 2 0.1483488E-01 3 0.1589365E-02 4 0.1023737E-03 5 0.2388468E-04 6 0.3990117E-05 7 0.3452348E-06 8 0.6163599E-08 9 0.7082265E-09 v, j, mj = 0 4 -1 0 0.7977771E-10 1 0.2518259E-01 2 0.2262533E-01 3 0.4790303E-02 4 0.7939827E-04 5 0.6000431E-05 6 0.1035733E-05 7 0.1120101E-06 8 0.7588093E-08 9 0.1873107E-08 v, j, mj = 0 4 0 0 0.6679860E-12 1 0.2377015E-01 2 0.4185048E-01 3 0.1778563E-02 4 0.5100956E-04 5 0.1521538E-04 6 0.3181492E-05 7 0.4231044E-06 8 0.2465340E-07 9 0.2108493E-08 v, j, mj = 0 4 1 0 0.1208129E-01 1 0.1799521E-01 2 0.9545833E-02 3 0.3154673E-02 4 0.4835934E-04 5 0.2593659E-04 6 0.4279362E-05 7 0.3767856E-06 8 0.5186021E-08 9 0.7038530E-09 v, j, mj = 0 4 2 0 0.3593930E-12 1 0.9639128E-02 2 0.4198104E-02 3 0.3697387E-02 4 0.3876472E-03 5 0.8661166E-04 6 0.1173763E-04 7 0.9260645E-06 8 0.2438437E-07 9 0.8427541E-09 v, j, mj = 0 4 3 0 0.4878378E-11 1 0.2215084E-02 2 0.3239788E-02 3 0.1741475E-02 4 0.4045149E-03 5 0.8290588E-04 6 0.7616420E-05 7 0.5559926E-06 8 0.1067418E-07 9 0.1733504E-08 v, j, mj = 0 4 4 0 0.2537343E-06 1 0.1037809E-04 2 0.5983954E-03 3 0.1055650E-02 4 0.5013401E-03 5 0.1637992E-03 6 0.2984302E-04 7 0.1794145E-05 8 0.3200910E-07 9 0.1928427E-08 v, j, mj = 0 6 -6 0 0.1012159E-12 1 0.1952631E-07 2 0.4658579E-06 3 0.5053625E-05 4 0.6633486E-05 5 0.1271946E-05 6 0.6539889E-07 7 0.7724453E-08 8 0.5435449E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.4567835E-06 1 0.1523921E-06 2 0.1367228E-04 3 0.9572323E-04 4 0.3376157E-04 5 0.3153625E-05 6 0.6475730E-07 7 0.9114113E-08 8 0.2442694E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.4076591E-12 1 0.5631526E-05 2 0.7611077E-03 3 0.8288049E-03 4 0.7772556E-04 5 0.2557848E-05 6 0.7587845E-07 7 0.9928900E-08 8 0.1521358E-08 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1059540E-10 1 0.4764004E-03 2 0.4667264E-02 3 0.1013878E-02 4 0.2847082E-04 5 0.1905797E-06 6 0.4154075E-07 7 0.6452937E-08 8 0.2142281E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.5151956E-06 1 0.7069796E-03 2 0.3457850E-02 3 0.1684164E-02 4 0.5786424E-04 5 0.4034942E-06 6 0.2112403E-07 7 0.4450528E-08 8 0.1135049E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.5602874E-10 1 0.4398014E-01 2 0.1014754E-01 3 0.2840352E-02 4 0.3507782E-04 5 0.2084058E-06 6 0.3983544E-07 7 0.1636428E-07 8 0.2241880E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2242904E-12 1 0.1203633E-01 2 0.9858589E-02 3 0.1875136E-02 4 0.8451539E-04 5 0.1055227E-05 6 0.2594088E-07 7 0.6708273E-08 8 0.1648377E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2554149E+00 1 0.4779920E-01 2 0.1194145E-01 3 0.2970951E-02 4 0.2191399E-03 5 0.5789591E-05 6 0.1420406E-06 7 0.6716890E-08 8 0.1764484E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1232846E-12 1 0.8435035E-01 2 0.1807073E-01 3 0.5349439E-02 4 0.8372792E-04 5 0.6104472E-05 6 0.1263061E-06 7 0.8595898E-08 8 0.3877856E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.6722756E-10 1 0.4782067E-01 2 0.2948705E-01 3 0.8075857E-03 4 0.3902506E-03 5 0.2641908E-04 6 0.8749953E-06 7 0.8230956E-08 8 0.1684451E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7202176E-05 1 0.9653116E-02 2 0.3281005E-01 3 0.8316909E-02 4 0.6171374E-03 5 0.6498838E-04 6 0.1480007E-05 7 0.1585224E-07 8 0.1410863E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1401379E-10 1 0.8984585E-04 2 0.7918823E-02 3 0.7373531E-02 4 0.1931123E-02 5 0.2314501E-03 6 0.7460321E-05 7 0.8231383E-07 8 0.3798960E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8055985E-12 1 0.1630102E-04 2 0.7111387E-03 3 0.2649057E-02 4 0.1801982E-02 5 0.3521388E-03 6 0.1470256E-04 7 0.1723771E-06 8 0.4582450E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2070003E-09 1 0.1573469E-08 2 0.1798249E-08 3 0.1052375E-08 4 0.5988901E-09 5 0.2585471E-09 6 0.6110653E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2314681E-14 1 0.1856711E-08 2 0.4175383E-08 3 0.4528234E-08 4 0.2328874E-08 5 0.1176847E-08 6 0.4760266E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.9174783E-15 1 0.3858366E-08 2 0.4933965E-08 3 0.1234259E-07 4 0.3054629E-08 5 0.1218796E-08 6 0.4658518E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1160670E-06 1 0.4012279E-07 2 0.1183312E-06 3 0.7754672E-07 4 0.8357423E-08 5 0.3326103E-08 6 0.4812648E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.9414390E-15 1 0.1139424E-06 2 0.9162057E-06 3 0.6058989E-06 4 0.3028319E-07 5 0.8005029E-08 6 0.1020676E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.6673255E-13 1 0.1030525E-05 2 0.1055927E-05 3 0.2421677E-05 4 0.8785293E-07 5 0.9261376E-08 6 0.1108390E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.8395803E-07 1 0.3886768E-04 2 0.6834736E-04 3 0.2523754E-05 4 0.5392392E-06 5 0.1101007E-07 6 0.8393505E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.4770834E-12 1 0.7314351E-03 2 0.2036814E-03 3 0.7331118E-05 4 0.4710414E-06 5 0.6143518E-07 6 0.5845231E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.3417754E-15 1 0.9485367E-03 2 0.1162620E-03 3 0.1376033E-04 4 0.3671655E-06 5 0.2410293E-07 6 0.8673626E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1366649E-01 1 0.4622155E-02 2 0.1585335E-03 3 0.1379207E-04 4 0.9357789E-06 5 0.7044954E-07 6 0.5641091E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.9214114E-15 1 0.6638118E-02 2 0.2525069E-03 3 0.3051905E-04 4 0.2869706E-06 5 0.6267427E-07 6 0.5434395E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.9654500E-12 1 0.1415853E-03 2 0.4051494E-03 3 0.1605514E-04 4 0.1762092E-06 5 0.4614018E-07 6 0.4275569E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5362317E-07 1 0.2788605E-04 2 0.7637955E-04 3 0.2457277E-04 4 0.3543559E-06 5 0.1370492E-07 6 0.4386544E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.2116746E-12 1 0.4177419E-05 2 0.1941243E-04 3 0.6374409E-05 4 0.4357336E-06 5 0.4384620E-07 6 0.6677108E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4159270E-14 1 0.1216302E-06 2 0.1254403E-05 3 0.1244678E-05 4 0.2392747E-06 5 0.1557372E-07 6 0.4584853E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8306738E-07 1 0.1444415E-07 2 0.6257019E-07 3 0.7607069E-07 4 0.1796476E-07 5 0.1322687E-07 6 0.2561929E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8772980E-15 1 0.8528294E-07 2 0.1463041E-06 3 0.9365955E-07 4 0.2415361E-07 5 0.1141419E-07 6 0.1022457E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.1279703E-15 1 0.4244992E-11 2 0.8558831E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -9 0 0.1522865E-16 1 0.1108263E-10 2 0.1429510E-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 10 -8 0 0.4328486E-11 1 0.3044166E-10 2 0.3127301E-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 10 -7 0 0.1635566E-16 1 0.1453318E-09 2 0.1348239E-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 10 -6 0 0.2821222E-17 1 0.1053865E-09 2 0.7940036E-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 10 -5 0 0.9105535E-09 1 0.3559516E-08 2 0.1337459E-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 10 -4 0 0.1581091E-16 1 0.7802995E-09 2 0.6121804E-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 10 -3 0 0.4397345E-16 1 0.4376370E-09 2 0.2066123E-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 10 -2 0 0.6665950E-09 1 0.7307632E-08 2 0.6459430E-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 10 -1 0 0.1146306E-16 1 0.1745016E-07 2 0.2087863E-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 10 0 0 0.4715253E-16 1 0.4299532E-07 2 0.3836996E-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 10 1 0 0.2458167E-06 1 0.3471521E-06 2 0.2054189E-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 10 2 0 0.1834914E-16 1 0.3901254E-07 2 0.3324742E-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 10 3 0 0.4963188E-16 1 0.7022281E-07 2 0.8651656E-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 10 4 0 0.1981728E-08 1 0.3322081E-08 2 0.2277926E-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 10 5 0 0.4357920E-17 1 0.4552117E-08 2 0.3162976E-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 10 6 0 0.3605432E-17 1 0.8112675E-09 2 0.1524562E-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 10 7 0 0.2905800E-09 1 0.3915354E-08 2 0.8673734E-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 10 8 0 0.2434110E-17 1 0.5766810E-09 2 0.6024385E-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 10 9 0 0.6662185E-17 1 0.8424399E-09 2 0.8269443E-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 10 10 0 0.3877288E-10 1 0.1049136E-09 2 0.5115739E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1172172E-13 1 0.4861031E-03 2 0.6189644E-03 3 0.2129781E-03 4 0.1478983E-04 5 0.1694087E-06 6 0.2645497E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.5666788E-09 1 0.3181201E-05 2 0.2517199E-04 3 0.9395757E-05 4 0.3955538E-06 5 0.4592919E-08 6 0.3779376E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.6585276E-13 1 0.4288056E-04 2 0.4903980E-04 3 0.3751360E-05 4 0.1329926E-06 5 0.4215583E-08 6 0.5375331E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4670364E-14 1 0.3214872E-03 2 0.4462116E-03 3 0.1118251E-03 4 0.5593393E-05 5 0.5169630E-07 6 0.5986859E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2538643E-05 1 0.1736746E-04 2 0.4319368E-04 3 0.9502449E-05 4 0.5139550E-06 5 0.1636194E-07 6 0.1001212E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2671256E-14 1 0.1264912E-02 2 0.1642082E-02 3 0.3046094E-03 4 0.9086845E-05 5 0.3243067E-07 6 0.2160584E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.3919395E-15 1 0.5386090E-09 2 0.1853573E-08 3 0.1414341E-08 4 0.1152478E-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 4 -3 0 0.1055887E-15 1 0.1164660E-08 2 0.1336913E-07 3 0.2853738E-08 4 0.1282929E-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 4 -2 0 0.6629079E-09 1 0.1458678E-08 2 0.4866317E-07 3 0.1588392E-07 4 0.7300533E-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 4 -1 0 0.2850013E-14 1 0.9691941E-06 2 0.1368165E-05 3 0.1848264E-06 4 0.8683537E-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 4 0 0 0.1683757E-15 1 0.7464359E-05 2 0.7691215E-05 3 0.1260322E-05 4 0.8670184E-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 4 1 0 0.1030598E-04 1 0.1268705E-04 2 0.1566185E-05 3 0.2260137E-06 4 0.1080540E-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 4 2 0 0.3215364E-16 1 0.3667781E-04 2 0.2706280E-04 3 0.2289398E-05 4 0.1176024E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.3167156E-15 1 0.2365977E-06 2 0.3520118E-06 3 0.5561521E-07 4 0.9789034E-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 4 4 0 0.1241202E-08 1 0.1195956E-07 2 0.1047197E-06 3 0.2210396E-07 4 0.5204183E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0020598 average vibrational energy (ev) = 0.002927 average rotational energy (ev) = 0.246933 average diffraction energy (ev) = 0.015680 the reaction probability = -0.2059820D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 99683.8834 (a) ... Propagating the wavefunction 97596.1437 (b) Setup time 1885.4035 Saving the wave function for rerun 47.0683 Calculating averages 4.3405 Calculating and saving BK-coeffs 12.8906 Asymptotic analysis 3.2849 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 99549.1314 (a) ... FFTs along X and Y 4548.6089 Kinetic energy operation along Z 25331.2530 Kinetic energy operation along r 20658.0484 Potential energy multiplication 11997.1150 Legengre transforms 28054.3940 Shifting the wavefunction 2147.1465 Kinetic energy multiplications (xy) 438.3459 Absorbing the wavefunction 523.5677 Projection formalism 17.3490 Operations on specular grid 0.1656 ----------------------------------------------------- Sum 93715.9941 (b) ... Potential initialisation time 0.0000 Potential setup time 1854.1056 FFTs along X 2350.2561 FFTs along Y 2198.3528 Time spent on FGH for asympwf 0.4128 Ending date and time: Wed Jul 31 18:43:35 CEST 2019