Starting date and time: Mon Jul 29 12:44:42 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 20190729 at 124442.529 *** * 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: v0j6mj0-0.15eV-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: 0 * 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: 0 * 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 = 0 ... *** 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 = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 143 iz = 145 iz = 149 iz = 144 iz = 153 iz = 148 iz = 157 iz = 147 iz = 152 iz = 161 iz = 151 iz = 156 iz = 155 iz = 160 iz = 146 iz = 159 iz = 150 iz = 154 iz = 158 iz = 162 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.18320182E+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 = 186 ******************************************************************************** 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 = 8944 ******************************************************************************** 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 1.50437824 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 1.50437669 0.11939068E-01 0.15000000E+04 0.99999931 13.61215588 1.50438907 0.84968604E-02 0.15500000E+04 0.99999929 13.48573145 1.50439355 0.60728884E-02 0.16000000E+04 0.99999926 13.35928062 1.50439360 0.43625351E-02 0.16500000E+04 0.99999924 13.23280067 1.50439917 0.31518915E-02 0.17000000E+04 0.99999922 13.10628850 1.50440401 0.22914444E-02 0.17500000E+04 0.99999920 12.97974060 1.50441264 0.16769322E-02 0.18000000E+04 0.99999917 12.85315308 1.50443103 0.12356808E-02 0.18500000E+04 0.99999915 12.72652164 1.50445826 0.91698012E-03 0.19000000E+04 0.99999913 12.59984166 1.50448075 0.68536682E-03 0.19500000E+04 0.99999910 12.47310819 1.50449852 0.51596014E-03 0.20000000E+04 0.99999908 12.34631600 1.50452418 0.39123484E-03 0.20500000E+04 0.99999906 12.21945966 1.50455163 0.29879154E-03 0.21000000E+04 0.99999903 12.09253355 1.50458277 0.22981287E-03 0.21500000E+04 0.99999901 11.96553191 1.50462373 0.17799600E-03 0.22000000E+04 0.99999899 11.83844888 1.50467300 0.13881043E-03 0.22500000E+04 0.99999897 11.71127849 1.50471777 0.10898055E-03 0.23000000E+04 0.99999894 11.58401469 1.50475599 0.86124791E-04 0.23500000E+04 0.99999892 11.45665139 1.50480066 0.68500125E-04 0.24000000E+04 0.99999890 11.32918241 1.50484862 0.54823706E-04 0.24500000E+04 0.99999887 11.20160152 1.50489717 0.44145531E-04 0.25000000E+04 0.99999885 11.07390247 1.50495511 0.35757883E-04 0.25500000E+04 0.99999883 10.94607896 1.50501883 0.29130458E-04 0.26000000E+04 0.99999880 10.81812472 1.50507854 0.23863615E-04 0.26500000E+04 0.99999878 10.69003352 1.50512996 0.19654229E-04 0.27000000E+04 0.99999876 10.56179925 1.50518625 0.16272009E-04 0.27500000E+04 0.99999874 10.43341599 1.50524834 0.13539813E-04 0.28000000E+04 0.99999871 10.30487811 1.50530974 0.11321367E-04 0.28500000E+04 0.99999869 10.17618041 1.50538024 0.95110979E-05 0.29000000E+04 0.99999867 10.04731825 1.50545703 0.80267826E-05 0.29500000E+04 0.99999864 9.91828771 1.50553118 0.68038384E-05 0.30000000E+04 0.99999862 9.78908585 1.50559828 0.57920854E-05 0.30500000E+04 0.99999860 9.65971091 1.50567123 0.49512481E-05 0.31000000E+04 0.99999857 9.53016259 1.50575433 0.42494958E-05 0.31500000E+04 0.99999855 9.40044235 1.50584047 0.36614106E-05 0.32000000E+04 0.99999853 9.27055378 1.50593790 0.31666180E-05 0.32500000E+04 0.99999850 9.14050294 1.50604829 0.27487145E-05 0.33000000E+04 0.99999848 9.01029883 1.50616189 0.23944184E-05 0.33500000E+04 0.99999846 8.87995379 1.50627807 0.20929135E-05 0.34000000E+04 0.99999843 8.74948406 1.50640822 0.18353626E-05 0.34500000E+04 0.99999841 8.61891025 1.50656286 0.16145492E-05 0.35000000E+04 0.99999839 8.48825796 1.50673634 0.14245890E-05 0.35500000E+04 0.99999836 8.35755834 1.50693590 0.12604354E-05 0.36000000E+04 0.99999834 8.22684870 1.50717055 0.11185869E-05 0.36500000E+04 0.99999831 8.09617320 1.50743209 0.99545991E-06 0.37000000E+04 0.99999829 7.96558346 1.50772402 0.88824576E-06 0.37500000E+04 0.99999826 7.83513924 1.50805976 0.79459530E-06 0.38000000E+04 0.99999824 7.70490906 1.50845501 0.71256293E-06 0.38500000E+04 0.99999821 7.57497083 1.50890845 0.64053691E-06 0.39000000E+04 0.99999818 7.44541240 1.50942622 0.57716287E-06 0.39500000E+04 0.99999816 7.31633212 1.51002113 0.52107698E-06 0.40000000E+04 0.99999813 7.18783921 1.51068886 0.47169492E-06 0.40500000E+04 0.99999810 7.06005418 1.51142970 0.42793722E-06 0.41000000E+04 0.99999806 6.93310898 1.51225661 0.38904675E-06 0.41500000E+04 0.99999802 6.80714718 1.51318056 0.35436397E-06 0.42000000E+04 0.99999798 6.68232386 1.51419945 0.32333158E-06 0.42500000E+04 0.99999792 6.55880542 1.51530707 0.29550655E-06 0.43000000E+04 0.99999784 6.43676924 1.51650747 0.27055300E-06 0.43500000E+04 0.99999774 6.31640316 1.51778930 0.24800784E-06 0.44000000E+04 0.99999761 6.19790479 1.51913677 0.22800392E-06 0.44500000E+04 0.99999744 6.08148068 1.52054816 0.21005775E-06 0.45000000E+04 0.99999720 5.96734536 1.52201819 0.19387915E-06 0.45500000E+04 0.99999689 5.85572018 1.52353249 0.17921115E-06 0.46000000E+04 0.99999649 5.74683203 1.52506913 0.16585893E-06 0.46500000E+04 0.99999597 5.64091195 1.52661570 0.15368586E-06 0.47000000E+04 0.99999529 5.53819358 1.52815388 0.14258802E-06 0.47500000E+04 0.99999444 5.43891159 1.52965862 0.13247208E-06 0.48000000E+04 0.99999338 5.34329990 1.53111696 0.12325027E-06 0.48500000E+04 0.99999206 5.25158996 1.53251904 0.11484502E-06 0.49000000E+04 0.99999046 5.16400891 1.53384788 0.10718760E-06 0.49500000E+04 0.99998852 5.08077775 1.53508318 0.10000187E-06 0.50000000E+04 0.99998623 5.00210945 1.53621085 0.93631621E-07 0.50500000E+04 0.99998354 4.92820721 1.53722074 0.87793070E-07 0.51000000E+04 0.99998043 4.85926270 1.53809806 0.82414872E-07 0.51500000E+04 0.99997688 4.79545436 1.53883762 0.77438484E-07 0.52000000E+04 0.99997289 4.73694580 1.53944127 0.72823961E-07 0.52500000E+04 0.99996846 4.68388440 1.53990682 0.68539213E-07 0.53000000E+04 0.99996361 4.63639994 1.54023038 0.64548278E-07 0.53500000E+04 0.99995838 4.59460353 1.54041102 0.60829891E-07 0.54000000E+04 0.99995281 4.55858674 1.54045292 0.57350897E-07 0.54500000E+04 0.99994696 4.52842099 1.54035799 0.54098677E-07 0.55000000E+04 0.99994089 4.50415727 1.54013197 0.51089888E-07 0.55500000E+04 0.99993468 4.48582606 1.53978586 0.48096265E-07 0.56000000E+04 0.99992841 4.47343757 1.53932715 0.45513738E-07 0.56500000E+04 0.99992215 4.46698228 1.53875966 0.43176640E-07 0.57000000E+04 0.99991600 4.46643160 1.53808817 0.40966817E-07 0.57500000E+04 0.99991001 4.47173880 1.53732093 0.38932748E-07 0.58000000E+04 0.99990425 4.48284001 1.53646768 0.37136479E-07 0.58500000E+04 0.99989878 4.49965531 1.53554054 0.35316615E-07 0.59000000E+04 0.99989363 4.52208990 1.53455608 0.33580990E-07 0.59500000E+04 0.99988883 4.55003528 1.53352840 0.32197876E-07 0.60000000E+04 0.99988438 4.58337049 1.53246678 0.30685619E-07 0.60500000E+04 0.99988028 4.62196337 1.53137802 0.28976868E-07 0.61000000E+04 0.99987652 4.66567184 1.53026822 0.27775144E-07 0.61500000E+04 0.99987307 4.71434525 1.52914346 0.26763024E-07 0.62000000E+04 0.99986991 4.76782566 1.52801019 0.25122763E-07 0.62500000E+04 0.99986702 4.82594911 1.52687740 0.23800411E-07 0.63000000E+04 0.99986439 4.88854691 1.52575328 0.23102737E-07 0.63500000E+04 0.99986200 4.95544678 1.52464283 0.22621998E-07 0.64000000E+04 0.99985983 5.02647403 1.52354946 0.21344517E-07 0.64500000E+04 0.99985788 5.10145253 1.52247628 0.19591641E-07 0.65000000E+04 0.99985613 5.18020581 1.52142660 0.20118839E-07 0.65500000E+04 0.99985457 5.26255787 1.52040391 0.22232535E-07 0.66000000E+04 0.99985318 5.34833412 1.51941235 0.21001278E-07 0.66500000E+04 0.99985194 5.43736207 1.51845519 0.19714467E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.67000000E+04 0.99985083 5.52947201 1.51753281 0.27496720E-07 0.67500000E+04 0.99984982 5.62449764 1.51664421 0.38420032E-07 0.68000000E+04 0.99984889 5.72227650 1.51578862 0.41896451E-07 0.68500000E+04 0.99984800 5.82265050 1.51496599 0.48391657E-07 0.69000000E+04 0.99984711 5.92546622 1.51417713 0.71779983E-07 0.69500000E+04 0.99984619 6.03057525 1.51342351 0.98225094E-07 0.70000000E+04 0.99984518 6.13783436 1.51270634 0.11098163E-06 0.70500000E+04 0.99984403 6.24710568 1.51202499 0.12209870E-06 0.71000000E+04 0.99984264 6.35825673 1.51137764 0.14260792E-06 0.71500000E+04 0.99984092 6.47116040 1.51076255 0.15517403E-06 0.72000000E+04 0.99983873 6.58569494 1.51017840 0.14887550E-06 0.72500000E+04 0.99983588 6.70174377 1.50962434 0.14089257E-06 0.73000000E+04 0.99983213 6.81919533 1.50909983 0.14095625E-06 0.73500000E+04 0.99982712 6.93794271 1.50860440 0.14596991E-06 0.74000000E+04 0.99982037 7.05788335 1.50813691 0.19102702E-06 0.74500000E+04 0.99981120 7.17891848 1.50769553 0.34979116E-06 0.75000000E+04 0.99979874 7.30095258 1.50727875 0.66680937E-06 0.75500000E+04 0.99978177 7.42389280 1.50688551 0.11561167E-05 0.76000000E+04 0.99975874 7.54764823 1.50651491 0.18955772E-05 0.76500000E+04 0.99972763 7.67212921 1.50616604 0.30513464E-05 0.77000000E+04 0.99968590 7.79724660 1.50583803 0.47581681E-05 0.77500000E+04 0.99963037 7.92291108 1.50552988 0.70442363E-05 0.78000000E+04 0.99955716 8.04903235 1.50524011 0.99606084E-05 0.78500000E+04 0.99946156 8.17551849 1.50496742 0.13767239E-04 0.79000000E+04 0.99933795 8.30227531 1.50471117 0.18918173E-04 0.79500000E+04 0.99917970 8.42920576 1.50447089 0.25898558E-04 0.80000000E+04 0.99897910 8.55620944 1.50424608 0.35249672E-04 0.80500000E+04 0.99872722 8.68318224 1.50403632 0.47931344E-04 0.81000000E+04 0.99841394 8.81001614 1.50384115 0.65715836E-04 0.81500000E+04 0.99802781 8.93659911 1.50365963 0.91234239E-04 0.82000000E+04 0.99755609 9.06281537 1.50349070 0.12778230E-03 0.82500000E+04 0.99698476 9.18854575 1.50333395 0.17938950E-03 0.83000000E+04 0.99629858 9.31366840 1.50318925 0.25137992E-03 0.83500000E+04 0.99548120 9.43805974 1.50305631 0.35099050E-03 0.84000000E+04 0.99451535 9.56159583 1.50293487 0.48745712E-03 0.84500000E+04 0.99338307 9.68415405 1.50282470 0.67153641E-03 0.85000000E+04 0.99206608 9.80561528 1.50272510 0.91509081E-03 0.85500000E+04 0.99054624 9.92586643 1.50263511 0.12312932E-02 0.86000000E+04 0.98880603 10.04480352 1.50255452 0.16352485E-02 0.86500000E+04 0.98682921 10.16233488 1.50248386 0.21442116E-02 0.87000000E+04 0.98460145 10.27838450 1.50242366 0.27769006E-02 0.87500000E+04 0.98211096 10.39289504 1.50237442 0.35522354E-02 0.88000000E+04 0.97934900 10.50583028 1.50233633 0.44883017E-02 0.88500000E+04 0.97631037 10.61717671 1.50230849 0.56021260E-02 0.89000000E+04 0.97299353 10.72694394 1.50228900 0.69099633E-02 0.89500000E+04 0.96940067 10.83516390 1.50227635 0.84272439E-02 0.90000000E+04 0.96553750 10.94188904 1.50227012 0.10167707E-01 0.90500000E+04 0.96141286 11.04718950 1.50227027 0.12142007E-01 0.91000000E+04 0.95703830 11.15114989 1.50227701 0.14356491E-01 0.91500000E+04 0.95242754 11.25386590 1.50229060 0.16812852E-01 0.92000000E+04 0.94759601 11.35544122 1.50231039 0.19508640E-01 0.92500000E+04 0.94256046 11.45598502 1.50233482 0.22437982E-01 0.93000000E+04 0.93733869 11.55561006 1.50236319 0.25591982E-01 0.93500000E+04 0.93194933 11.65443151 1.50239672 0.28958485E-01 0.94000000E+04 0.92641176 11.75256617 1.50243751 0.32521384E-01 0.94500000E+04 0.92074598 11.85013190 1.50248733 0.36260153E-01 0.95000000E+04 0.91497247 11.94724706 1.50254646 0.40150013E-01 0.95500000E+04 0.90911203 12.04402968 1.50261209 0.44162659E-01 0.96000000E+04 0.90318551 12.14059624 1.50267856 0.48267525E-01 0.96500000E+04 0.89721355 12.23706019 1.50274061 0.52433137E-01 0.97000000E+04 0.89121619 12.33353021 1.50279645 0.56628127E-01 0.97500000E+04 0.88521251 12.43010822 1.50284811 0.60822030E-01 0.98000000E+04 0.87922029 12.52688753 1.50290031 0.64985644E-01 0.98500000E+04 0.87325562 12.62395100 1.50295841 0.69091041E-01 0.99000000E+04 0.86733260 12.72136934 1.50302512 0.73111697E-01 0.99500000E+04 0.86146306 12.81919973 1.50309881 0.77022727E-01 0.10000000E+05 0.85565633 12.91748462 1.50317550 0.80801165E-01 0.10050000E+05 0.84991906 13.01625097 1.50325172 0.84426469E-01 0.10100000E+05 0.84425516 13.11550972 1.50332529 0.87880961E-01 0.10150000E+05 0.83866575 13.21525578 1.50339497 0.91150035E-01 0.10200000E+05 0.83314927 13.31546833 1.50346013 0.94222092E-01 0.10250000E+05 0.82770157 13.41611161 1.50351966 0.97087926E-01 0.10300000E+05 0.82231616 13.51713590 1.50357190 0.99740045E-01 0.10350000E+05 0.81698442 13.61847888 1.50361707 0.10217226E+00 0.10400000E+05 0.81169596 13.72006708 1.50365902 0.10437948E+00 0.10450000E+05 0.80643883 13.82181749 1.50370337 0.10635799E+00 0.10500000E+05 0.80119988 13.92363911 1.50375407 0.10810588E+00 0.10550000E+05 0.79596501 14.02543455 1.50381150 0.10962327E+00 0.10600000E+05 0.79071938 14.12710143 1.50387189 0.11091232E+00 0.10650000E+05 0.78544771 14.22853370 1.50392853 0.11197701E+00 0.10700000E+05 0.78013437 14.32962290 1.50397583 0.11282262E+00 0.10750000E+05 0.77476362 14.43025921 1.50401248 0.11345527E+00 0.10800000E+05 0.76931976 14.53033251 1.50404077 0.11388158E+00 0.10850000E+05 0.76378730 14.62973344 1.50406406 0.11410855E+00 0.10900000E+05 0.75815113 14.72835436 1.50408588 0.11414374E+00 0.10950000E+05 0.75239671 14.82609037 1.50410920 0.11399539E+00 0.11000000E+05 0.74651027 14.92284030 1.50413530 0.11367224E+00 0.11050000E+05 0.74047895 15.01850761 1.50416403 0.11318336E+00 0.11100000E+05 0.73429101 15.11300130 1.50419433 0.11253787E+00 0.11150000E+05 0.72793591 15.20623661 1.50422367 0.11174490E+00 0.11200000E+05 0.72140445 15.29813573 1.50424836 0.11081387E+00 0.11250000E+05 0.71468887 15.38862825 1.50426639 0.10975480E+00 0.11300000E+05 0.70778289 15.47765153 1.50427934 0.10857839E+00 0.11350000E+05 0.70068178 15.56515086 1.50429045 0.10729553E+00 0.11400000E+05 0.69338233 15.65107950 1.50430230 0.10591655E+00 0.11450000E+05 0.68588291 15.73539857 1.50431559 0.10445063E+00 0.11500000E+05 0.67818339 15.81807685 1.50432841 0.10290580E+00 0.11550000E+05 0.67028517 15.89909048 1.50433748 0.10128953E+00 0.11600000E+05 0.66219108 15.97842255 1.50434190 0.99609429E-01 0.11650000E+05 0.65390533 16.05606268 1.50434506 0.97873506E-01 0.11700000E+05 0.64543345 16.13200649 1.50435147 0.96089827E-01 0.11750000E+05 0.63678215 16.20625510 1.50436304 0.94266022E-01 0.11800000E+05 0.62795923 16.27881461 1.50437808 0.92408903E-01 0.11850000E+05 0.61897348 16.34969555 1.50439184 0.90524497E-01 0.11900000E+05 0.60983456 16.41891235 1.50439871 0.88618418E-01 0.11950000E+05 0.60055287 16.48648289 1.50439642 0.86696161E-01 0.12000000E+05 0.59113946 16.55242800 1.50438856 0.84763100E-01 0.12050000E+05 0.58160589 16.61677101 1.50438158 0.82824230E-01 0.12100000E+05 0.57196417 16.67953742 1.50438047 0.80883941E-01 0.12150000E+05 0.56222659 16.74075451 1.50438724 0.78946002E-01 0.12200000E+05 0.55240567 16.80045101 1.50439997 0.77013729E-01 0.12250000E+05 0.54251405 16.85865686 1.50441272 0.75090243E-01 0.12300000E+05 0.53256440 16.91540297 1.50441901 0.73178651E-01 0.12350000E+05 0.52256937 16.97072098 1.50441642 0.71282002E-01 0.12400000E+05 0.51254148 17.02464312 1.50440717 0.69403120E-01 0.12450000E+05 0.50249307 17.07720202 1.50439597 0.67544409E-01 0.12500000E+05 0.49243627 17.12843057 1.50438911 0.65707815E-01 0.12550000E+05 0.48238291 17.17836171 1.50439142 0.63895028E-01 0.12600000E+05 0.47234447 17.22702838 1.50440196 0.62107709E-01 0.12650000E+05 0.46233208 17.27446334 1.50441452 0.60347540E-01 0.12700000E+05 0.45235648 17.32069913 1.50442266 0.58616078E-01 0.12750000E+05 0.44242795 17.36576797 1.50442268 0.56914563E-01 0.12800000E+05 0.43255633 17.40970170 1.50441399 0.55243853E-01 0.12850000E+05 0.42275100 17.45253178 1.50440062 0.53604521E-01 0.12900000E+05 0.41302085 17.49428917 1.50438992 0.51997056E-01 0.12950000E+05 0.40337428 17.53500436 1.50438691 0.50422022E-01 0.13000000E+05 0.39381918 17.57470731 1.50439190 0.48880008E-01 0.13050000E+05 0.38436297 17.61342746 1.50440294 0.47371463E-01 0.13100000E+05 0.37501255 17.65119371 1.50441616 0.45896597E-01 0.13150000E+05 0.36577433 17.68803441 1.50442471 0.44455421E-01 0.13200000E+05 0.35665423 17.72397734 1.50442291 0.43047890E-01 0.13250000E+05 0.34765768 17.75904973 1.50441110 0.41673988E-01 0.13300000E+05 0.33878964 17.79327816 1.50439413 0.40333708E-01 0.13350000E+05 0.33005457 17.82668859 1.50437913 0.39026967E-01 0.13400000E+05 0.32145647 17.85930630 1.50437496 0.37753542E-01 0.13450000E+05 0.31299890 17.89115579 1.50438648 0.36513110E-01 0.13500000E+05 0.30468494 17.92226083 1.50440756 0.35305338E-01 0.13550000E+05 0.29651728 17.95264438 1.50442504 0.34129921E-01 0.13600000E+05 0.28849817 17.98232858 1.50442907 0.32986565E-01 0.13650000E+05 0.28062949 18.01133477 1.50441713 0.31874922E-01 0.13700000E+05 0.27291273 18.03968347 1.50439446 0.30794571E-01 0.13750000E+05 0.26534904 18.06739441 1.50437424 0.29745044E-01 0.13800000E+05 0.25793922 18.09448657 1.50436941 0.28725871E-01 0.13850000E+05 0.25068377 18.12097818 1.50438103 0.27736595E-01 0.13900000E+05 0.24358291 18.14688679 1.50439941 0.26776739E-01 0.13950000E+05 0.23663656 18.17222925 1.50441462 0.25845771E-01 0.14000000E+05 0.22984440 18.19702178 1.50442011 0.24943102E-01 0.14050000E+05 0.22320586 18.22127997 1.50441318 0.24068110E-01 0.14100000E+05 0.21672017 18.24501880 1.50439880 0.23220186E-01 0.14150000E+05 0.21038633 18.26825269 1.50438627 0.22398751E-01 0.14200000E+05 0.20420316 18.29099547 1.50437929 0.21603251E-01 0.14250000E+05 0.19816931 18.31326045 1.50437681 0.20833131E-01 0.14300000E+05 0.19228329 18.33506042 1.50438063 0.20087811E-01 0.14350000E+05 0.18654343 18.35640766 1.50439199 0.19366676E-01 0.14400000E+05 0.18094795 18.37731395 1.50440555 0.18669087E-01 0.14450000E+05 0.17549497 18.39779063 1.50441476 0.17994395E-01 0.14500000E+05 0.17018248 18.41784858 1.50441593 0.17341967E-01 0.14550000E+05 0.16500839 18.43749828 1.50440512 0.16711198E-01 0.14600000E+05 0.15997053 18.45674978 1.50438322 0.16101497E-01 0.14650000E+05 0.15506665 18.47561275 1.50436339 0.15512290E-01 0.14700000E+05 0.15029447 18.49409645 1.50436050 0.14943044E-01 0.14750000E+05 0.14565162 18.51220982 1.50437605 0.14393273E-01 0.14800000E+05 0.14113570 18.52996140 1.50440091 0.13862511E-01 0.14850000E+05 0.13674429 18.54735941 1.50442284 0.13350257E-01 0.14900000E+05 0.13247492 18.56441173 1.50442752 0.12855958E-01 0.14950000E+05 0.12832512 18.58112592 1.50440830 0.12379045E-01 0.15000000E+05 0.12429240 18.59750922 1.50437801 0.11918975E-01 0.15050000E+05 0.12037425 18.61356860 1.50435756 0.11475240E-01 0.15100000E+05 0.11656818 18.62931077 1.50435653 0.11047339E-01 0.15150000E+05 0.11287169 18.64474218 1.50437315 0.10634761E-01 0.15200000E+05 0.10928230 18.65986909 1.50439963 0.10237002E-01 0.15250000E+05 0.10579752 18.67469753 1.50442009 0.98535957E-02 0.15300000E+05 0.10241490 18.68923334 1.50442010 0.94841094E-02 0.15350000E+05 0.09913202 18.70348221 1.50440297 0.91281104E-02 0.15400000E+05 0.09594644 18.71744967 1.50438281 0.87851423E-02 0.15450000E+05 0.09285579 18.73114109 1.50436779 0.84547340E-02 0.15500000E+05 0.08985770 18.74456171 1.50436254 0.81364298E-02 0.15550000E+05 0.08694984 18.75771664 1.50437160 0.78298087E-02 0.15600000E+05 0.08412992 18.77061084 1.50438937 0.75344730E-02 0.15650000E+05 0.08139567 18.78324917 1.50440309 0.72500230E-02 0.15700000E+05 0.07874486 18.79563638 1.50440882 0.69760539E-02 0.15750000E+05 0.07617528 18.80777709 1.50440826 0.67121851E-02 0.15800000E+05 0.07368480 18.81967581 1.50439795 0.64580846E-02 0.15850000E+05 0.07127128 18.83133699 1.50437955 0.62134479E-02 0.15900000E+05 0.06893264 18.84276495 1.50436595 0.59779526E-02 0.15950000E+05 0.06666683 18.85396393 1.50436469 0.57512543E-02 0.16000000E+05 0.06447187 18.86493811 1.50437281 0.55330348E-02 0.16050000E+05 0.06234577 18.87569160 1.50438881 0.53230298E-02 0.16100000E+05 0.06028661 18.88622842 1.50440867 0.51209890E-02 0.16150000E+05 0.05829252 18.89655254 1.50441765 0.49266205E-02 0.16200000E+05 0.05636164 18.90666786 1.50440713 0.47396056E-02 0.16250000E+05 0.05449217 18.91657821 1.50438667 0.45596660E-02 0.16300000E+05 0.05268235 18.92628739 1.50436770 0.43865860E-02 0.16350000E+05 0.05093045 18.93579911 1.50435593 0.42201566E-02 0.16400000E+05 0.04923478 18.94511703 1.50436044 0.40601220E-02 0.16450000E+05 0.04759370 18.95424475 1.50438412 0.39062027E-02 0.16500000E+05 0.04600559 18.96318579 1.50441052 0.37581582E-02 0.16550000E+05 0.04446890 18.97194362 1.50442130 0.36157967E-02 0.16600000E+05 0.04298207 18.98052164 1.50441416 0.34789249E-02 0.16650000E+05 0.04154363 18.98892316 1.50439289 0.33473149E-02 0.16700000E+05 0.04015210 18.99715145 1.50436424 0.32207328E-02 0.16750000E+05 0.03880608 19.00520967 1.50434729 0.30989828E-02 0.16800000E+05 0.03750416 19.01310095 1.50435753 0.29819026E-02 0.16850000E+05 0.03624502 19.02082830 1.50438560 0.28693230E-02 0.16900000E+05 0.03502731 19.02839472 1.50441136 0.27610501E-02 0.16950000E+05 0.03384978 19.03580309 1.50442398 0.26568944E-02 0.17000000E+05 0.03271117 19.04305629 1.50441666 0.25567012E-02 0.17050000E+05 0.03161027 19.05015710 1.50438882 0.24603448E-02 0.17100000E+05 0.03054590 19.05710828 1.50435960 0.23676960E-02 0.17150000E+05 0.02951690 19.06391253 1.50435132 0.22786082E-02 0.17200000E+05 0.02852218 19.07057251 1.50436410 0.21929298E-02 0.17250000E+05 0.02756063 19.07709084 1.50438600 0.21105211E-02 0.17300000E+05 0.02663121 19.08347011 1.50440892 0.20312561E-02 0.17350000E+05 0.02573290 19.08971289 1.50442090 0.19550180E-02 0.17400000E+05 0.02486469 19.09582169 1.50441039 0.18816984E-02 0.17450000E+05 0.02402561 19.10179902 1.50438638 0.18111962E-02 0.17500000E+05 0.02321474 19.10764730 1.50436820 0.17434104E-02 0.17550000E+05 0.02243116 19.11336892 1.50436144 0.16782325E-02 0.17600000E+05 0.02167397 19.11896621 1.50436552 0.16155513E-02 0.17650000E+05 0.02094233 19.12444144 1.50438295 0.15552676E-02 0.17700000E+05 0.02023540 19.12979682 1.50440490 0.14973028E-02 0.17750000E+05 0.01955237 19.13503453 1.50441354 0.14415904E-02 0.17800000E+05 0.01889245 19.14015666 1.50440654 0.13880557E-02 0.17850000E+05 0.01825489 19.14516527 1.50439397 0.13366042E-02 0.17900000E+05 0.01763894 19.15006233 1.50437862 0.12871283E-02 0.17950000E+05 0.01704389 19.15484974 1.50436489 0.12395289E-02 0.18000000E+05 0.01646905 19.15952935 1.50436547 0.11937322E-02 0.18050000E+05 0.01591375 19.16410294 1.50438113 0.11496897E-02 0.18100000E+05 0.01537733 19.16857226 1.50439761 0.11073614E-02 0.18150000E+05 0.01485916 19.17293902 1.50440784 0.10666962E-02 0.18200000E+05 0.01435863 19.17720491 1.50441210 0.10276246E-02 0.18250000E+05 0.01387516 19.18137160 1.50440359 0.99006524E-03 0.18300000E+05 0.01340816 19.18544068 1.50438255 0.95393554E-03 0.18350000E+05 0.01295709 19.18941374 1.50436614 0.91916057E-03 0.18400000E+05 0.01252141 19.19329233 1.50436544 0.88567756E-03 0.18450000E+05 0.01210059 19.19707795 1.50437591 0.85343969E-03 0.18500000E+05 0.01169415 19.20077212 1.50439351 0.82241739E-03 0.18550000E+05 0.01130158 19.20437633 1.50441367 0.79259209E-03 0.18600000E+05 0.01092242 19.20789207 1.50442040 0.76394059E-03 0.18650000E+05 0.01055622 19.21132078 1.50440511 0.73641839E-03 0.18700000E+05 0.01020254 19.21466389 1.50438219 0.70995502E-03 0.18750000E+05 0.00986094 19.21792279 1.50436700 0.68446889E-03 0.18800000E+05 0.00953102 19.22109884 1.50436345 0.65989288E-03 0.18850000E+05 0.00921238 19.22419334 1.50437522 0.63619236E-03 0.18900000E+05 0.00890463 19.22720757 1.50440074 0.61336168E-03 0.18950000E+05 0.00860740 19.23014277 1.50442110 0.59140289E-03 0.19000000E+05 0.00832033 19.23300012 1.50441975 0.57030306E-03 0.19050000E+05 0.00804307 19.23578077 1.50440301 0.55002570E-03 0.19100000E+05 0.00777528 19.23848577 1.50438308 0.53051804E-03 0.19150000E+05 0.00751665 19.24111613 1.50436665 0.51172547E-03 0.19200000E+05 0.00726685 19.24367276 1.50436500 0.49360398E-03 0.19250000E+05 0.00702557 19.24615656 1.50438436 0.47612636E-03 0.19300000E+05 0.00679254 19.24856839 1.50440951 0.45928160E-03 0.19350000E+05 0.00656746 19.25090913 1.50442067 0.44306721E-03 0.19400000E+05 0.00635006 19.25317963 1.50441665 0.42747738E-03 0.19450000E+05 0.00614007 19.25538079 1.50440291 0.41249331E-03 0.19500000E+05 0.00593725 19.25751347 1.50438267 0.39808243E-03 0.19550000E+05 0.00574133 19.25957854 1.50436933 0.38420615E-03 0.19600000E+05 0.00555210 19.26157688 1.50437590 0.37082945E-03 0.19650000E+05 0.00536930 19.26350937 1.50439481 0.35792601E-03 0.19700000E+05 0.00519273 19.26537693 1.50440980 0.34547823E-03 0.19750000E+05 0.00502217 19.26718049 1.50441720 0.33347547E-03 0.19800000E+05 0.00485742 19.26892100 1.50441648 0.32191242E-03 0.19850000E+05 0.00469826 19.27059941 1.50440320 0.31078573E-03 0.19900000E+05 0.00454451 19.27221663 1.50438612 0.30008871E-03 0.19950000E+05 0.00439598 19.27377352 1.50438064 0.28980657E-03 0.20000000E+05 0.00425249 19.27527092 1.50438672 0.27991635E-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 -0.004160 2.30464 2 0.1554312 -0.022145 1.75572 3 0.1597487 -0.025624 1.22839 4 0.1640662 -0.014850 0.71319 5 0.1683837 0.002470 0.20202 6 0.1727013 0.015615 -0.30770 7 0.1770188 0.017144 -0.81097 8 0.1813363 0.007327 -1.29851 9 0.1856539 -0.006201 -1.76432 10 0.1899714 -0.013670 -2.21045 11 0.1942889 -0.010081 -2.64524 12 0.1986065 0.001072 -3.07734 13 0.2029240 0.010433 2.77384 14 0.2072415 0.010308 2.34780 15 0.2115591 0.001278 1.93656 16 0.2158766 -0.008074 1.54302 17 0.2201941 -0.008893 1.16137 18 0.2245117 -0.000640 0.78264 19 0.2288292 0.008026 0.40307 20 0.2331467 0.007926 0.02794 21 0.2374643 -0.000751 -0.33422 22 0.2417818 -0.008250 -0.68159 23 0.2460993 -0.006029 -1.02103 24 0.2504169 0.003163 -1.36058 25 0.2547344 0.008181 -1.70045 26 0.2590519 0.002932 -2.03275 27 0.2633695 -0.005797 -2.35158 28 0.2676870 -0.006704 -2.66059 29 0.2720045 0.001320 -2.96843 30 0.2763221 0.007453 3.00523 31 0.2806396 0.003389 2.70071 32 0.2849571 -0.005131 2.40825 33 0.2892746 -0.006123 2.12532 34 0.2935922 0.001660 1.84326 35 0.2979097 0.006782 1.55911 36 0.3022272 0.001730 1.27986 37 0.3065448 -0.005880 1.01213 38 0.3108623 -0.004599 0.75213 39 0.3151798 0.003469 0.49119 40 0.3194974 0.005809 0.22854 41 0.3238149 -0.001091 -0.02738 42 0.3281324 -0.006185 -0.27227 43 0.3324500 -0.001387 -0.51289 44 0.3367675 0.005422 -0.75662 45 0.3410850 0.003147 -0.99968 46 0.3454026 -0.004329 -1.23314 47 0.3497201 -0.004535 -1.45791 48 0.3540376 0.002747 -1.68340 49 0.3583552 0.005058 -1.91202 50 0.3626727 -0.001555 -2.13480 51 0.3669902 -0.005658 -2.34684 52 0.3713078 -0.000153 -2.55609 53 0.3756253 0.005244 -2.76983 54 0.3799428 0.000994 -2.98172 55 0.3842604 -0.005262 3.10037 56 0.3885779 -0.002238 2.90528 57 0.3928954 0.004561 2.70596 58 0.3972129 0.002666 2.50532 59 0.4015305 -0.004415 2.31462 60 0.4058480 -0.003435 2.13232 61 0.4101655 0.003870 1.94646 62 0.4144831 0.003710 1.75691 63 0.4188006 -0.003705 1.57639 64 0.4231181 -0.004250 1.40608 65 0.4274357 0.003059 1.23282 66 0.4317532 0.003870 1.05414 67 0.4360707 -0.003565 0.88405 68 0.4403883 -0.004616 0.72556 69 0.4447058 0.002884 0.56398 70 0.4490233 0.003983 0.39550 71 0.4533409 -0.003558 0.23607 72 0.4576584 -0.004476 0.08953 73 0.4619759 0.003143 -0.06108 74 0.4662935 0.003758 -0.21982 75 0.4706110 -0.003794 -0.36792 76 0.4749285 -0.003731 -0.50223 77 0.4792461 0.003959 -0.64306 78 0.4835636 0.003352 -0.79292 79 0.4878811 -0.004154 -0.92908 80 0.4921987 -0.002782 -1.05114 81 0.4965162 0.004363 -1.18359 82 0.5008337 0.001992 -1.32477 83 0.5051512 -0.004854 -1.44752 84 0.5094688 -0.001694 -1.55769 85 0.5137863 0.004490 -1.68403 86 0.5181038 0.000447 -1.81663 87 0.5224214 -0.004988 -1.92475 88 0.5267389 -0.000216 -2.02485 89 0.5310564 0.004275 -2.14778 90 0.5353740 -0.001091 -2.26995 91 0.5396915 -0.004414 -2.36162 92 0.5440090 0.001642 -2.45495 93 0.5483266 0.004141 -2.57689 ******************************************************************************** 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 0.9896888E+00 0.3609934E-02 0.2887275E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.1533532E-02 0 21 2 -2 0.2730567E-04 0 26 2 -1 0.4780207E-03 0 32 2 0 0.5882348E-02 0 37 2 1 0.4780207E-03 0 42 2 2 0.2730566E-04 0 13 4 -4 0.7038885E-05 0 17 4 -3 0.8228446E-04 0 22 4 -2 0.7417747E-03 0 27 4 -1 0.1803300E-02 0 33 4 0 0.2113994E-01 0 38 4 1 0.1803300E-02 0 43 4 2 0.7417747E-03 0 47 4 3 0.8228446E-04 0 51 4 4 0.7038882E-05 0 7 6 -6 0.7797926E-07 0 10 6 -5 0.3382630E-06 0 14 6 -4 0.1321810E-04 0 18 6 -3 0.7746783E-04 0 23 6 -2 0.5343808E-02 0 28 6 -1 0.1651457E-02 0 34 6 0 0.9406806E+00 0 39 6 1 0.1651457E-02 0 44 6 2 0.5343808E-02 0 48 6 3 0.7746782E-04 0 52 6 4 0.1321810E-04 0 55 6 5 0.3382629E-06 0 58 6 6 0.7797926E-07 0 3 8 -8 0.1177207E-16 0 5 8 -7 0.5435088E-18 0 8 8 -6 0.3804924E-09 0 11 8 -5 0.7414410E-18 0 15 8 -4 0.6798972E-18 0 19 8 -3 0.1673994E-10 0 24 8 -2 0.1015104E-16 0 29 8 -1 0.7238621E-18 0 35 8 0 0.1502645E-06 0 40 8 1 0.2901351E-18 0 45 8 2 0.1147677E-16 0 49 8 3 0.1673987E-10 0 53 8 4 0.8959843E-18 0 56 8 5 0.8541004E-18 0 59 8 6 0.3804928E-09 0 61 8 7 0.2964327E-18 0 63 8 8 0.1179332E-16 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 0.1642440E-03 1 0.7007010E-03 2 0.5698618E-03 3 0.8996793E-04 4 0.7274787E-05 5 0.1264717E-05 6 0.1856528E-06 7 0.2747178E-07 8 0.4579097E-08 9 0.0000000E+00 v, j, mj = 0 2 -2 0 0.9762328E-15 1 0.4007457E-05 2 0.6282933E-05 3 0.9149732E-05 4 0.6709310E-05 5 0.1072376E-05 6 0.6810883E-07 7 0.1388620E-07 8 0.1865065E-08 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.3127259E-16 1 0.8136953E-04 2 0.2234133E-03 3 0.1474845E-03 4 0.2445713E-04 5 0.1234220E-05 6 0.5163202E-07 7 0.6739847E-08 8 0.3680427E-08 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.1238867E-02 1 0.3062132E-02 2 0.1379574E-02 3 0.1862340E-03 4 0.1391625E-04 5 0.1492750E-05 6 0.1111833E-06 7 0.1560570E-07 8 0.6152467E-08 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.5097713E-16 1 0.8136953E-04 2 0.2234133E-03 3 0.1474845E-03 4 0.2445713E-04 5 0.1234221E-05 6 0.5163204E-07 7 0.6739850E-08 8 0.3680427E-08 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.7266850E-15 1 0.4007454E-05 2 0.6282931E-05 3 0.9149729E-05 4 0.6709311E-05 5 0.1072375E-05 6 0.6810880E-07 7 0.1388618E-07 8 0.1865065E-08 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.5983609E-15 1 0.5880749E-07 2 0.1913808E-05 3 0.3770670E-05 4 0.1175235E-05 5 0.5383027E-07 6 0.5923436E-07 7 0.7299635E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.9285968E-08 1 0.3200624E-05 2 0.3643820E-04 3 0.3860356E-04 4 0.3858406E-05 5 0.1468208E-06 6 0.2464259E-07 7 0.2920587E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.4205354E-14 1 0.2067181E-03 2 0.4156260E-03 3 0.1134097E-03 4 0.5861017E-05 5 0.1225677E-06 6 0.3116559E-07 7 0.6155323E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.2019624E-15 1 0.9450664E-03 2 0.7887047E-03 3 0.6785968E-04 4 0.1400031E-05 5 0.2606581E-06 6 0.5312580E-08 7 0.2908661E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1065785E-01 1 0.1012267E-01 2 0.3055245E-03 3 0.4648495E-04 4 0.7235441E-05 5 0.1054046E-06 6 0.3574688E-07 7 0.3045320E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1104451E-15 1 0.9450664E-03 2 0.7887047E-03 3 0.6785969E-04 4 0.1400031E-05 5 0.2606580E-06 6 0.5312583E-08 7 0.2908666E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.3552590E-14 1 0.2067181E-03 2 0.4156260E-03 3 0.1134097E-03 4 0.5861019E-05 5 0.1225677E-06 6 0.3116557E-07 7 0.6155317E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.9283968E-08 1 0.3200623E-05 2 0.3643820E-04 3 0.3860356E-04 4 0.3858407E-05 5 0.1468208E-06 6 0.2464258E-07 7 0.2920591E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.5686059E-15 1 0.5880589E-07 2 0.1913809E-05 3 0.3770669E-05 4 0.1175234E-05 5 0.5383028E-07 6 0.5923433E-07 7 0.7299627E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1378713E-08 1 0.7057232E-08 2 0.1393129E-07 3 0.3714000E-08 4 0.2921104E-07 5 0.2268698E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.8645926E-17 1 0.6906946E-07 2 0.1112017E-06 3 0.7023889E-07 4 0.2638964E-07 5 0.6136325E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.9618464E-17 1 0.3728494E-05 2 0.6361095E-05 3 0.1328850E-05 4 0.1521659E-05 5 0.2780039E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1649752E-06 1 0.2362129E-04 2 0.4712492E-04 3 0.6118001E-05 4 0.4025173E-06 5 0.3612713E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1565726E-16 1 0.4137483E-02 2 0.1164208E-02 3 0.3800221E-04 4 0.4012867E-05 5 0.1025085E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.4698258E-17 1 0.1397393E-02 2 0.2431007E-03 3 0.1073463E-04 4 0.2239485E-06 5 0.4364938E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6315770E+00 1 0.2829592E+00 2 0.2539038E-01 3 0.7392988E-03 4 0.1338533E-04 5 0.1318758E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1990790E-16 1 0.1397393E-02 2 0.2431007E-03 3 0.1073463E-04 4 0.2239485E-06 5 0.4364936E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1313003E-15 1 0.4137483E-02 2 0.1164208E-02 3 0.3800221E-04 4 0.4012867E-05 5 0.1025085E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1649751E-06 1 0.2362129E-04 2 0.4712492E-04 3 0.6118001E-05 4 0.4025173E-06 5 0.3612712E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2858080E-16 1 0.3728493E-05 2 0.6361095E-05 3 0.1328850E-05 4 0.1521660E-05 5 0.2780039E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1368306E-16 1 0.6906950E-07 2 0.1112017E-06 3 0.7023887E-07 4 0.2638964E-07 5 0.6136323E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1378716E-08 1 0.7057227E-08 2 0.1393130E-07 3 0.3714003E-08 4 0.2921106E-07 5 0.2268696E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1177207E-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 -7 0 0.5435088E-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 -6 0 0.3804924E-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 0.7414410E-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 0.6798972E-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 0.1673994E-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 -2 0 0.1015104E-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 -1 0 0.7238621E-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 0 0 0.1502645E-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 1 0 0.2901351E-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 2 0 0.1147677E-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 3 0 0.1673987E-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 4 0 0.8959843E-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 0.8541004E-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 6 0 0.3804928E-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 7 0 0.2964327E-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 8 0 0.1179332E-16 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9896888 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.288727 average diffraction energy (ev) = 0.003610 the reaction probability = 0.1031121D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43272747D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1005990E+01 0.4086621E-02 0.2797875E+00 1 0.2892981E-07 0.8703729E-02 0.7256985E-02 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.4120517E-02 0 21 2 -2 0.7609256E-04 0 26 2 -1 0.1178294E-02 0 32 2 0 0.1447332E-01 0 37 2 1 0.1178294E-02 0 42 2 2 0.7609255E-04 0 13 4 -4 0.7101135E-04 0 17 4 -3 0.5108626E-03 0 22 4 -2 0.3001541E-02 0 27 4 -1 0.5443966E-02 0 33 4 0 0.4648625E-01 0 38 4 1 0.5443966E-02 0 43 4 2 0.3001541E-02 0 47 4 3 0.5108627E-03 0 51 4 4 0.7101133E-04 0 7 6 -6 0.1313112E-06 0 10 6 -5 0.1381761E-05 0 14 6 -4 0.4206457E-04 0 18 6 -3 0.4226504E-03 0 23 6 -2 0.1104554E-01 0 28 6 -1 0.3490899E-02 0 34 6 0 0.8902809E+00 0 39 6 1 0.3490899E-02 0 44 6 2 0.1104554E-01 0 48 6 3 0.4226503E-03 0 52 6 4 0.4206457E-04 0 55 6 5 0.1381760E-05 0 58 6 6 0.1313112E-06 0 3 8 -8 0.5724576E-10 0 5 8 -7 0.9143029E-10 0 8 8 -6 0.3404816E-07 0 11 8 -5 0.4761145E-08 0 15 8 -4 0.6860287E-06 0 19 8 -3 0.1169538E-06 0 24 8 -2 0.7989118E-06 0 29 8 -1 0.1541073E-05 0 35 8 0 0.5336617E-04 0 40 8 1 0.1541073E-05 0 45 8 2 0.7989118E-06 0 49 8 3 0.1169538E-06 0 53 8 4 0.6860288E-06 0 56 8 5 0.4761141E-08 0 59 8 6 0.3404817E-07 0 61 8 7 0.9143065E-10 0 63 8 8 0.5724563E-10 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 0.2407940E-07 1 21 2 -2 0.3568169E-10 1 26 2 -1 0.3525143E-10 1 32 2 0 0.4708543E-08 1 37 2 1 0.3525134E-10 1 42 2 2 0.3568174E-10 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 0.4260802E-03 1 0.1910452E-02 2 0.1616135E-02 3 0.1548887E-03 4 0.1176503E-04 5 0.7746451E-06 6 0.3743577E-06 7 0.3332259E-07 8 0.1231636E-07 9 0.2964362E-09 v, j, mj = 0 2 -2 0 0.2461894E-14 1 0.3901137E-04 2 0.2418167E-04 3 0.3528808E-05 4 0.6195358E-05 5 0.2949323E-05 6 0.2106933E-06 7 0.1207105E-07 8 0.3098430E-08 9 0.1686265E-09 v, j, mj = 0 2 -1 0 0.2040767E-15 1 0.2441182E-03 2 0.5560227E-03 3 0.3151512E-03 4 0.5687278E-04 5 0.5997177E-05 6 0.1171821E-06 7 0.1144183E-07 8 0.2929471E-08 9 0.3415584E-10 v, j, mj = 0 2 0 0 0.3432706E-02 1 0.7301343E-02 2 0.3402043E-02 3 0.3067761E-03 4 0.2587098E-04 5 0.4269789E-05 6 0.2832383E-06 7 0.1623202E-07 8 0.9970235E-08 9 0.3165835E-09 v, j, mj = 0 2 1 0 0.3776557E-15 1 0.2441181E-03 2 0.5560227E-03 3 0.3151512E-03 4 0.5687279E-04 5 0.5997180E-05 6 0.1171822E-06 7 0.1144180E-07 8 0.2929473E-08 9 0.3415606E-10 v, j, mj = 0 2 2 0 0.2232102E-14 1 0.3901137E-04 2 0.2418168E-04 3 0.3528798E-05 4 0.6195356E-05 5 0.2949322E-05 6 0.2106934E-06 7 0.1207104E-07 8 0.3098433E-08 9 0.1686269E-09 v, j, mj = 0 4 -4 0 0.9603508E-14 1 0.1225737E-06 2 0.1387806E-04 3 0.4016376E-04 4 0.1579367E-04 5 0.1018071E-05 6 0.2788547E-07 7 0.7075866E-08 8 0.2512058E-09 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2186132E-07 1 0.2188378E-04 2 0.2285284E-03 3 0.2249350E-03 4 0.3408873E-04 5 0.1363143E-05 6 0.3485655E-07 7 0.6326894E-08 8 0.4730809E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.7888621E-13 1 0.8859527E-03 2 0.1611801E-02 3 0.4722277E-03 4 0.3079804E-04 5 0.7212519E-06 6 0.3175562E-07 7 0.7740918E-08 8 0.9485187E-09 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.1247376E-14 1 0.2645845E-02 2 0.2549405E-02 3 0.2347322E-03 4 0.1295570E-04 5 0.1005495E-05 6 0.1799924E-07 7 0.4072508E-08 8 0.4584109E-09 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.2820018E-01 1 0.1768894E-01 2 0.1447075E-03 3 0.4082519E-03 4 0.4311090E-04 5 0.9484580E-06 6 0.8302954E-07 7 0.1806051E-07 8 0.4327757E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1505980E-14 1 0.2645845E-02 2 0.2549405E-02 3 0.2347322E-03 4 0.1295571E-04 5 0.1005494E-05 6 0.1799928E-07 7 0.4072506E-08 8 0.4584110E-09 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.7685978E-13 1 0.8859527E-03 2 0.1611801E-02 3 0.4722278E-03 4 0.3079804E-04 5 0.7212521E-06 6 0.3175557E-07 7 0.7740914E-08 8 0.9485177E-09 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2185161E-07 1 0.2188377E-04 2 0.2285285E-03 3 0.2249351E-03 4 0.3408873E-04 5 0.1363144E-05 6 0.3485652E-07 7 0.6326901E-08 8 0.4730812E-09 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1031933E-13 1 0.1225617E-06 2 0.1387807E-04 3 0.4016376E-04 4 0.1579366E-04 5 0.1018070E-05 6 0.2788544E-07 7 0.7075878E-08 8 0.2512062E-09 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1381867E-08 1 0.3176644E-08 2 0.2915226E-07 3 0.2984875E-07 4 0.3072559E-07 5 0.1295447E-07 6 0.2407159E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.5904649E-17 1 0.1380664E-06 2 0.4807082E-06 3 0.4744920E-06 4 0.1025733E-06 5 0.1742675E-06 6 0.1165359E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.6252757E-15 1 0.8039935E-05 2 0.2249390E-04 3 0.9213228E-05 4 0.2204203E-05 5 0.6264658E-07 6 0.5066155E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2458469E-06 1 0.9356505E-04 2 0.2783101E-03 3 0.4897773E-04 4 0.1257789E-05 5 0.2811286E-06 6 0.1268172E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.6242783E-14 1 0.8336041E-02 2 0.2592460E-02 3 0.1084087E-03 4 0.8394758E-05 5 0.6915202E-07 6 0.1628976E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2893521E-15 1 0.3087945E-02 2 0.3645538E-03 3 0.3726043E-04 4 0.1123327E-05 5 0.1260740E-07 6 0.3290963E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6294880E+00 1 0.2294131E+00 2 0.3002142E-01 3 0.1326328E-02 4 0.3160182E-04 5 0.3150036E-06 6 0.5436488E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.3197274E-15 1 0.3087945E-02 2 0.3645539E-03 3 0.3726043E-04 4 0.1123327E-05 5 0.1260738E-07 6 0.3290966E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.7531079E-14 1 0.8336041E-02 2 0.2592460E-02 3 0.1084087E-03 4 0.8394758E-05 5 0.6915201E-07 6 0.1628976E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.2458354E-06 1 0.9356505E-04 2 0.2783101E-03 3 0.4897773E-04 4 0.1257789E-05 5 0.2811286E-06 6 0.1268172E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.6789810E-15 1 0.8039933E-05 2 0.2249389E-04 3 0.9213229E-05 4 0.2204203E-05 5 0.6264659E-07 6 0.5066154E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1359568E-15 1 0.1380663E-06 2 0.4807071E-06 3 0.4744922E-06 4 0.1025734E-06 5 0.1742675E-06 6 0.1165362E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1381869E-08 1 0.3176670E-08 2 0.2915220E-07 3 0.2984873E-07 4 0.3072562E-07 5 0.1295447E-07 6 0.2407159E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1105551E-15 1 0.9639558E-11 2 0.4041773E-10 3 0.7188365E-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 0.9790206E-17 1 0.1801330E-10 2 0.6159604E-10 3 0.1182095E-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 -6 0 0.7297515E-08 1 0.1334883E-07 2 0.1306137E-07 3 0.3404376E-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 -5 0 0.8389606E-17 1 0.3695779E-08 2 0.1027149E-08 3 0.3821709E-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 -4 0 0.1603693E-16 1 0.6200512E-06 2 0.6567991E-07 3 0.2976585E-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 -3 0 0.8895986E-08 1 0.5227761E-07 2 0.5256551E-07 3 0.3214746E-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 0.1043232E-16 1 0.7385184E-06 2 0.5983316E-07 3 0.5602877E-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 -1 0 0.2875165E-16 1 0.1032575E-05 2 0.4948680E-06 3 0.1363003E-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 0 0 0.3352871E-04 1 0.1931623E-04 2 0.5166226E-06 3 0.4611456E-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 0.3605691E-16 1 0.1032575E-05 2 0.4948680E-06 3 0.1363003E-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 2 0 0.3269449E-17 1 0.7385184E-06 2 0.5983315E-07 3 0.5602880E-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 3 0 0.8895984E-08 1 0.5227758E-07 2 0.5256550E-07 3 0.3214745E-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 0.8208245E-17 1 0.6200512E-06 2 0.6567991E-07 3 0.2976588E-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 5 0 0.8819977E-17 1 0.3695776E-08 2 0.1027147E-08 3 0.3821709E-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 6 0 0.7297521E-08 1 0.1334883E-07 2 0.1306138E-07 3 0.3404374E-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 0.8275590E-17 1 0.1801321E-10 2 0.6159641E-10 3 0.1182102E-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 8 0 0.1061684E-15 1 0.9639403E-11 2 0.4041780E-10 3 0.7188325E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1020674E-07 1 0.8654047E-08 2 0.5218613E-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 2 -2 0 0.3108004E-16 1 0.3568166E-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 0.3284962E-18 1 0.3525143E-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 0.2966985E-08 1 0.1741558E-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 1 0 0.2627291E-18 1 0.3525134E-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 2 0 0.2556373E-16 1 0.3568172E-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 sum of the probabilities = 1.0059896 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.279787 average diffraction energy (ev) = 0.004087 the reaction probability = -0.5989561D-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 0.9972770E+00 0.4713960E-02 0.2672958E+00 1 0.7700570E-06 0.1556704E-01 0.2820654E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.6778742E-02 0 21 2 -2 0.3692645E-03 0 26 2 -1 0.1942195E-02 0 32 2 0 0.2406320E-01 0 37 2 1 0.1942195E-02 0 42 2 2 0.3692645E-03 0 13 4 -4 0.3774409E-03 0 17 4 -3 0.1978848E-02 0 22 4 -2 0.8122109E-02 0 27 4 -1 0.1172863E-01 0 33 4 0 0.7739173E-01 0 38 4 1 0.1172863E-01 0 43 4 2 0.8122108E-02 0 47 4 3 0.1978848E-02 0 51 4 4 0.3774409E-03 0 7 6 -6 0.4238160E-06 0 10 6 -5 0.9344347E-05 0 14 6 -4 0.2034676E-03 0 18 6 -3 0.1945858E-02 0 23 6 -2 0.2047228E-01 0 28 6 -1 0.6312895E-02 0 34 6 0 0.7814446E+00 0 39 6 1 0.6312895E-02 0 44 6 2 0.2047228E-01 0 48 6 3 0.1945858E-02 0 52 6 4 0.2034676E-03 0 55 6 5 0.9344342E-05 0 58 6 6 0.4238118E-06 0 3 8 -8 0.6675959E-09 0 5 8 -7 0.6166727E-08 0 8 8 -6 0.1328980E-06 0 11 8 -5 0.1596845E-07 0 15 8 -4 0.5031931E-06 0 19 8 -3 0.3497430E-06 0 24 8 -2 0.7653437E-06 0 29 8 -1 0.3130482E-04 0 35 8 0 0.6070905E-03 0 40 8 1 0.3130482E-04 0 45 8 2 0.7653440E-06 0 49 8 3 0.3497438E-06 0 53 8 4 0.5031930E-06 0 56 8 5 0.1596844E-07 0 59 8 6 0.1328979E-06 0 61 8 7 0.6166730E-08 0 63 8 8 0.6675980E-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 0.2682355E-06 1 21 2 -2 0.3530004E-07 1 26 2 -1 0.8470914E-07 1 32 2 0 0.2618030E-06 1 37 2 1 0.8470918E-07 1 42 2 2 0.3530004E-07 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 0.5388852E-03 1 0.3098699E-02 2 0.3034004E-02 3 0.9290235E-04 4 0.1371019E-04 5 0.1294156E-06 6 0.3219504E-06 7 0.7964106E-07 8 0.9663636E-08 9 0.5085049E-09 v, j, mj = 0 2 -2 0 0.1628682E-13 1 0.1934616E-03 2 0.1568197E-03 3 0.1395478E-04 4 0.1313689E-05 5 0.2941700E-05 6 0.7460243E-06 7 0.2543610E-07 8 0.1439294E-08 9 0.2329649E-09 v, j, mj = 0 2 -1 0 0.2318917E-14 1 0.7359880E-03 2 0.8196797E-03 3 0.2938104E-03 4 0.7706620E-04 5 0.1486280E-04 6 0.7778772E-06 7 0.7152338E-08 8 0.2451345E-08 9 0.7408386E-09 v, j, mj = 0 2 0 0 0.5958539E-02 1 0.1167840E-01 2 0.6240762E-02 3 0.1537939E-03 4 0.2702946E-04 5 0.4076400E-05 6 0.5763424E-06 7 0.2047834E-07 8 0.7323359E-08 9 0.3788464E-08 v, j, mj = 0 2 1 0 0.2273005E-14 1 0.7359880E-03 2 0.8196798E-03 3 0.2938103E-03 4 0.7706620E-04 5 0.1486281E-04 6 0.7778780E-06 7 0.7152238E-08 8 0.2451341E-08 9 0.7408420E-09 v, j, mj = 0 2 2 0 0.1487152E-13 1 0.1934615E-03 2 0.1568197E-03 3 0.1395480E-04 4 0.1313674E-05 5 0.2941696E-05 6 0.7460267E-06 7 0.2543602E-07 8 0.1439299E-08 9 0.2329626E-09 v, j, mj = 0 4 -4 0 0.8813062E-13 1 0.4814400E-06 2 0.6556488E-04 3 0.1958938E-03 4 0.1031803E-03 5 0.1199955E-04 6 0.3088542E-06 7 0.1096955E-07 8 0.1012998E-08 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.6786366E-07 1 0.1134429E-03 2 0.9577862E-03 3 0.7654740E-03 4 0.1351272E-03 5 0.6865005E-05 6 0.7992858E-07 7 0.2470629E-08 8 0.2395134E-08 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.7352948E-12 1 0.2830711E-02 2 0.4101956E-02 3 0.1125526E-02 4 0.6208022E-04 5 0.1761916E-05 6 0.6233843E-07 7 0.1061347E-07 8 0.1440402E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.4020572E-14 1 0.5729308E-02 2 0.5262273E-02 3 0.6745656E-03 4 0.5880393E-04 5 0.3587856E-05 6 0.9260771E-07 7 0.2057636E-08 8 0.1900023E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.5323376E-01 1 0.1919136E-01 2 0.3252599E-02 3 0.1607290E-02 4 0.1025578E-03 5 0.4083335E-05 6 0.5804123E-07 7 0.1995931E-07 8 0.7008672E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1005012E-13 1 0.5729307E-02 2 0.5262273E-02 3 0.6745656E-03 4 0.5880393E-04 5 0.3587858E-05 6 0.9260826E-07 7 0.2057632E-08 8 0.1900027E-08 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.7168795E-12 1 0.2830711E-02 2 0.4101956E-02 3 0.1125525E-02 4 0.6208021E-04 5 0.1761916E-05 6 0.6233847E-07 7 0.1061348E-07 8 0.1440406E-08 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.6784678E-07 1 0.1134428E-03 2 0.9577862E-03 3 0.7654740E-03 4 0.1351272E-03 5 0.6865007E-05 6 0.7992866E-07 7 0.2470627E-08 8 0.2395136E-08 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.9090684E-13 1 0.4814032E-06 2 0.6556491E-04 3 0.1958938E-03 4 0.1031803E-03 5 0.1199955E-04 6 0.3088537E-06 7 0.1096955E-07 8 0.1012998E-08 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.8930076E-08 1 0.1448221E-07 2 0.6084861E-07 3 0.1730113E-06 4 0.1028015E-06 5 0.1476276E-07 6 0.4324416E-07 7 0.5735386E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.9610737E-15 1 0.1415255E-06 2 0.3516605E-05 3 0.4556008E-05 4 0.9985669E-06 5 0.8754825E-07 6 0.3929680E-07 7 0.4796498E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1913679E-13 1 0.1444510E-04 2 0.1024578E-03 3 0.7781955E-04 4 0.8629995E-05 5 0.8752705E-07 6 0.2676030E-07 7 0.9037264E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4513556E-06 1 0.3545674E-03 2 0.1330589E-02 3 0.2536112E-03 4 0.6308577E-05 5 0.3031533E-06 6 0.2481202E-07 7 0.2404344E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2069614E-12 1 0.1596637E-01 2 0.4368032E-02 3 0.1173453E-03 4 0.2008659E-04 5 0.3324395E-06 6 0.1153595E-06 7 0.1365205E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3533103E-14 1 0.5917339E-02 2 0.2458681E-03 3 0.1473224E-03 4 0.2314623E-05 5 0.4492766E-07 6 0.5173244E-08 7 0.3990190E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6250719E+00 1 0.1252884E+00 2 0.2977770E-01 3 0.1241999E-02 4 0.6395656E-04 5 0.5456585E-06 6 0.2696560E-07 7 0.2552683E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.4421001E-14 1 0.5917339E-02 2 0.2458683E-03 3 0.1473224E-03 4 0.2314622E-05 5 0.4492774E-07 6 0.5173231E-08 7 0.3990195E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2063687E-12 1 0.1596637E-01 2 0.4368032E-02 3 0.1173453E-03 4 0.2008659E-04 5 0.3324395E-06 6 0.1153595E-06 7 0.1365203E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.4512437E-06 1 0.3545674E-03 2 0.1330589E-02 3 0.2536112E-03 4 0.6308575E-05 5 0.3031534E-06 6 0.2481201E-07 7 0.2404344E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1927692E-13 1 0.1444511E-04 2 0.1024578E-03 3 0.7781955E-04 4 0.8629997E-05 5 0.8752733E-07 6 0.2676029E-07 7 0.9037267E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1367078E-14 1 0.1415234E-06 2 0.3516598E-05 3 0.4556012E-05 4 0.9985671E-06 5 0.8754821E-07 6 0.3929678E-07 7 0.4796498E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8930002E-08 1 0.1448199E-07 2 0.6084554E-07 3 0.1730102E-06 4 0.1028018E-06 5 0.1476278E-07 6 0.4324417E-07 7 0.5735386E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2732069E-16 1 0.1179463E-09 2 0.1427837E-09 3 0.3177428E-09 4 0.8912309E-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 0.5719217E-17 1 0.1736136E-08 2 0.3561274E-08 3 0.6891770E-09 4 0.1801394E-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 -6 0 0.2779131E-07 1 0.5295541E-07 2 0.5073109E-07 3 0.1199099E-08 4 0.2210399E-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 -5 0 0.2256498E-17 1 0.3662765E-08 2 0.9661119E-08 3 0.2221896E-08 4 0.4226702E-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 0.1558049E-16 1 0.1929049E-07 2 0.4670924E-06 3 0.1440387E-07 4 0.2406267E-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 -3 0 0.1405854E-07 1 0.1343035E-06 2 0.1593744E-06 3 0.3792641E-07 4 0.4080052E-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 0.2758480E-16 1 0.5464562E-06 2 0.1223315E-06 3 0.9535557E-07 4 0.1200340E-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 0.1635852E-16 1 0.2863600E-04 2 0.2581895E-05 3 0.5070843E-07 4 0.3621993E-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 0 0 0.3537039E-03 1 0.2466111E-03 2 0.6034625E-05 3 0.7297309E-06 4 0.1111309E-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 0.3555246E-17 1 0.2863600E-04 2 0.2581895E-05 3 0.5070846E-07 4 0.3621996E-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 2 0 0.1311474E-16 1 0.5464567E-06 2 0.1223313E-06 3 0.9535563E-07 4 0.1200335E-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 3 0 0.1405901E-07 1 0.1343037E-06 2 0.1593746E-06 3 0.3792642E-07 4 0.4080051E-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 0.1226128E-16 1 0.1929048E-07 2 0.4670924E-06 3 0.1440387E-07 4 0.2406265E-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 0.3983618E-17 1 0.3662767E-08 2 0.9661107E-08 3 0.2221898E-08 4 0.4226704E-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 6 0 0.2779130E-07 1 0.5295537E-07 2 0.5073109E-07 3 0.1199101E-08 4 0.2210407E-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 0.4092131E-17 1 0.1736135E-08 2 0.3561279E-08 3 0.6891770E-09 4 0.1801394E-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 0.3500332E-16 1 0.1179472E-09 2 0.1427843E-09 3 0.3177432E-09 4 0.8912325E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6352017E-07 1 0.1499034E-06 2 0.4694772E-07 3 0.7379350E-08 4 0.4849108E-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 2 -2 0 0.2245379E-17 1 0.1021364E-07 2 0.2231084E-07 3 0.2775565E-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 0.8602037E-18 1 0.1006613E-07 2 0.7325842E-07 3 0.1384586E-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 0.8665703E-07 1 0.1353183E-06 2 0.3525383E-07 3 0.4573833E-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 0.2062490E-18 1 0.1006618E-07 2 0.7325841E-07 3 0.1384586E-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 0.2566631E-17 1 0.1021364E-07 2 0.2231084E-07 3 0.2775564E-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 = 0.9972778 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.267296 average diffraction energy (ev) = 0.004714 the reaction probability = 0.2722233D-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 0.9976171E+00 0.6069731E-02 0.2554061E+00 1 0.3920850E-04 0.9757777E-02 0.1202185E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.7701620E-02 0 21 2 -2 0.1328448E-02 0 26 2 -1 0.3114264E-02 0 32 2 0 0.3014357E-01 0 37 2 1 0.3114264E-02 0 42 2 2 0.1328448E-02 0 13 4 -4 0.1119661E-02 0 17 4 -3 0.5227648E-02 0 22 4 -2 0.1546643E-01 0 27 4 -1 0.1800212E-01 0 33 4 0 0.1053826E+00 0 38 4 1 0.1800211E-01 0 43 4 2 0.1546642E-01 0 47 4 3 0.5227647E-02 0 51 4 4 0.1119661E-02 0 7 6 -6 0.3746954E-05 0 10 6 -5 0.8225471E-04 0 14 6 -4 0.1028310E-02 0 18 6 -3 0.6702293E-02 0 23 6 -2 0.3330974E-01 0 28 6 -1 0.1039118E-01 0 34 6 0 0.6590273E+00 0 39 6 1 0.1039118E-01 0 44 6 2 0.3330974E-01 0 48 6 3 0.6702293E-02 0 52 6 4 0.1028310E-02 0 55 6 5 0.8225471E-04 0 58 6 6 0.3746929E-05 0 3 8 -8 0.3766675E-08 0 5 8 -7 0.9313421E-08 0 8 8 -6 0.7580026E-07 0 11 8 -5 0.9060993E-07 0 15 8 -4 0.1848624E-05 0 19 8 -3 0.3473415E-05 0 24 8 -2 0.8848235E-05 0 29 8 -1 0.2152127E-03 0 35 8 0 0.3350735E-02 0 40 8 1 0.2152127E-03 0 45 8 2 0.8848240E-05 0 49 8 3 0.3473418E-05 0 53 8 4 0.1848625E-05 0 56 8 5 0.9060988E-07 0 59 8 6 0.7580016E-07 0 61 8 7 0.9313418E-08 0 63 8 8 0.3766706E-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 0.2887543E-04 1 21 2 -2 0.1458007E-06 1 26 2 -1 0.1926458E-05 1 32 2 0 0.5946238E-05 1 37 2 1 0.1926458E-05 1 42 2 2 0.1458007E-06 1 13 4 -4 0.2575096E-09 1 17 4 -3 0.4122170E-09 1 22 4 -2 0.1095558E-07 1 27 4 -1 0.2291474E-07 1 33 4 0 0.1732325E-06 1 38 4 1 0.2291476E-07 1 43 4 2 0.1095558E-07 1 47 4 3 0.4122182E-09 1 51 4 4 0.2575111E-09 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 0.2353752E-03 1 0.3429728E-02 2 0.3977470E-02 3 0.2665351E-04 4 0.2842587E-04 5 0.3742167E-05 6 0.1937815E-06 7 0.2310651E-07 8 0.7111696E-08 9 0.8798276E-09 v, j, mj = 0 2 -2 0 0.2493967E-12 1 0.6385205E-03 2 0.5795125E-03 3 0.9567637E-04 4 0.8370656E-05 5 0.4479039E-05 6 0.1754446E-05 7 0.1302092E-06 8 0.3907665E-08 9 0.5974498E-09 v, j, mj = 0 2 -1 0 0.1737154E-13 1 0.1937857E-02 2 0.8575082E-03 3 0.1817982E-03 4 0.1117587E-03 5 0.2316781E-04 6 0.2119986E-05 7 0.4859707E-07 8 0.3842378E-08 9 0.1929829E-08 v, j, mj = 0 2 0 0 0.6069626E-02 1 0.1553251E-01 2 0.8373186E-02 3 0.1498625E-03 4 0.1715428E-04 5 0.7353595E-06 6 0.4484762E-06 7 0.3530112E-07 8 0.4308579E-08 9 0.5691635E-08 v, j, mj = 0 2 1 0 0.9734050E-14 1 0.1937857E-02 2 0.8575085E-03 3 0.1817981E-03 4 0.1117587E-03 5 0.2316782E-04 6 0.2119993E-05 7 0.4859690E-07 8 0.3842418E-08 9 0.1929840E-08 v, j, mj = 0 2 2 0 0.2436201E-12 1 0.6385203E-03 2 0.5795125E-03 3 0.9567653E-04 4 0.8370622E-05 5 0.4479034E-05 6 0.1754444E-05 7 0.1302083E-06 8 0.3907671E-08 9 0.5974501E-09 v, j, mj = 0 4 -4 0 0.4366976E-12 1 0.2589082E-05 2 0.2324279E-03 3 0.5312322E-03 4 0.2941662E-03 5 0.5623818E-04 6 0.2971592E-05 7 0.3278423E-07 8 0.1804718E-08 9 0.7672074E-09 v, j, mj = 0 4 -3 0 0.3347841E-06 1 0.4533325E-03 2 0.2806635E-02 3 0.1679658E-02 4 0.2727633E-03 5 0.1453871E-04 6 0.3735759E-06 7 0.9564830E-08 8 0.2046815E-08 9 0.1821988E-09 v, j, mj = 0 4 -2 0 0.3609982E-11 1 0.6936503E-02 2 0.6809585E-02 3 0.1657791E-02 4 0.5896278E-04 5 0.3316340E-05 6 0.2586550E-06 7 0.6176226E-08 8 0.2874016E-08 9 0.1649098E-09 v, j, mj = 0 4 -1 0 0.8677498E-14 1 0.8836938E-02 2 0.7275793E-02 3 0.1790044E-02 4 0.9220112E-04 5 0.6780985E-05 6 0.3479611E-06 7 0.7522432E-08 8 0.2062698E-08 9 0.2081010E-08 v, j, mj = 0 4 0 0 0.7145268E-01 1 0.1697001E-01 2 0.1378410E-01 3 0.3083810E-02 4 0.8658967E-04 5 0.5340298E-05 6 0.5712367E-07 7 0.2679827E-07 8 0.6499643E-08 9 0.4803966E-09 v, j, mj = 0 4 1 0 0.5163882E-13 1 0.8836938E-02 2 0.7275791E-02 3 0.1790044E-02 4 0.9220107E-04 5 0.6781010E-05 6 0.3479643E-06 7 0.7522491E-08 8 0.2062712E-08 9 0.2081018E-08 v, j, mj = 0 4 2 0 0.3561292E-11 1 0.6936503E-02 2 0.6809584E-02 3 0.1657791E-02 4 0.5896275E-04 5 0.3316350E-05 6 0.2586566E-06 7 0.6176153E-08 8 0.2874015E-08 9 0.1649095E-09 v, j, mj = 0 4 3 0 0.3347704E-06 1 0.4533323E-03 2 0.2806635E-02 3 0.1679658E-02 4 0.2727633E-03 5 0.1453870E-04 6 0.3735749E-06 7 0.9564754E-08 8 0.2046816E-08 9 0.1821995E-09 v, j, mj = 0 4 4 0 0.4530643E-12 1 0.2589036E-05 2 0.2324280E-03 3 0.5312323E-03 4 0.2941662E-03 5 0.5623818E-04 6 0.2971590E-05 7 0.3278426E-07 8 0.1804730E-08 9 0.7672112E-09 v, j, mj = 0 6 -6 0 0.3276229E-07 1 0.4279507E-07 2 0.3933796E-06 3 0.2083251E-05 4 0.1080025E-05 5 0.6623405E-07 6 0.3248716E-07 7 0.1601939E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1197168E-13 1 0.4281589E-07 2 0.2389050E-04 3 0.4502961E-04 4 0.1285463E-04 5 0.3830478E-06 6 0.3202564E-07 7 0.2208542E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2886226E-12 1 0.2402491E-04 2 0.4878795E-03 3 0.4623936E-03 4 0.5305451E-04 5 0.9322141E-06 6 0.2183551E-07 7 0.3890821E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1049171E-05 1 0.1193101E-02 2 0.4742064E-02 3 0.7491772E-03 4 0.1659936E-04 5 0.2669423E-06 6 0.2781632E-07 7 0.7354048E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2846708E-11 1 0.2813036E-01 2 0.5043452E-02 3 0.8167087E-04 4 0.5314747E-04 5 0.1069398E-05 6 0.3134993E-07 7 0.8329823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1945750E-13 1 0.9418124E-02 2 0.5423391E-03 3 0.4260193E-03 4 0.4534559E-05 5 0.1528045E-06 6 0.7255056E-08 7 0.5853309E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.5930578E+00 1 0.4064218E-01 2 0.2398714E-01 3 0.1241958E-02 4 0.9753228E-04 5 0.5751520E-06 6 0.1585839E-07 7 0.7728461E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2225974E-13 1 0.9418123E-02 2 0.5423397E-03 3 0.4260193E-03 4 0.4534565E-05 5 0.1528051E-06 6 0.7255030E-08 7 0.5853317E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2791181E-11 1 0.2813036E-01 2 0.5043453E-02 3 0.8167105E-04 4 0.5314746E-04 5 0.1069399E-05 6 0.3134963E-07 7 0.8329816E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1048554E-05 1 0.1193102E-02 2 0.4742064E-02 3 0.7491773E-03 4 0.1659936E-04 5 0.2669428E-06 6 0.2781633E-07 7 0.7354055E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2945358E-12 1 0.2402491E-04 2 0.4878795E-03 3 0.4623936E-03 4 0.5305451E-04 5 0.9322144E-06 6 0.2183547E-07 7 0.3890823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1390081E-13 1 0.4280875E-07 2 0.2389052E-04 3 0.4502960E-04 4 0.1285462E-04 5 0.3830477E-06 6 0.3202565E-07 7 0.2208542E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3276147E-07 1 0.4279416E-07 2 0.3933614E-06 3 0.2083250E-05 4 0.1080022E-05 5 0.6623407E-07 6 0.3248714E-07 7 0.1601939E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3088263E-16 1 0.3518190E-09 2 0.2402464E-09 3 0.1434696E-08 4 0.1463073E-08 5 0.2768406E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.1042140E-16 1 0.1080625E-08 2 0.2976780E-08 3 0.3984917E-08 4 0.1076504E-08 5 0.1945946E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.3261943E-08 1 0.3029331E-07 2 0.2945564E-07 3 0.1099124E-07 4 0.1409090E-08 5 0.3890271E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2288186E-16 1 0.4503696E-07 2 0.1781216E-07 3 0.2243046E-07 4 0.4766268E-08 5 0.5640768E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2552037E-15 1 0.1452861E-05 2 0.2671661E-06 3 0.1162408E-06 4 0.1101671E-07 5 0.1339597E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.9729964E-08 1 0.1288352E-05 2 0.2030770E-05 3 0.1039899E-06 4 0.3655620E-07 5 0.4017212E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.2471661E-14 1 0.5780662E-05 2 0.2843376E-05 3 0.1989609E-06 4 0.2296965E-07 5 0.2266586E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.2562312E-15 1 0.2036261E-03 2 0.1097869E-04 3 0.4637106E-06 4 0.1310300E-06 5 0.1314402E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2036396E-02 1 0.1294764E-02 2 0.1912997E-04 3 0.2178491E-06 4 0.2195421E-06 5 0.7401279E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2586989E-15 1 0.2036262E-03 2 0.1097870E-04 3 0.4637114E-06 4 0.1310300E-06 5 0.1314400E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2140790E-14 1 0.5780669E-05 2 0.2843374E-05 3 0.1989608E-06 4 0.2296979E-07 5 0.2266585E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.9732233E-08 1 0.1288352E-05 2 0.2030771E-05 3 0.1039897E-06 4 0.3655620E-07 5 0.4017209E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4421991E-15 1 0.1452862E-05 2 0.2671662E-06 3 0.1162409E-06 4 0.1101674E-07 5 0.1339599E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1270058E-16 1 0.4503706E-07 2 0.1781207E-07 3 0.2243040E-07 4 0.4766265E-08 5 0.5640799E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3261927E-08 1 0.3029335E-07 2 0.2945555E-07 3 0.1099123E-07 4 0.1409083E-08 5 0.3890277E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4141814E-17 1 0.1080614E-08 2 0.2976795E-08 3 0.3984902E-08 4 0.1076511E-08 5 0.1945946E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8146480E-17 1 0.3518416E-09 2 0.2402495E-09 3 0.1434697E-08 4 0.1463079E-08 5 0.2768391E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.7525244E-05 1 0.1700753E-04 2 0.3995229E-05 3 0.3220365E-06 4 0.2523592E-07 5 0.1571014E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.6418859E-16 1 0.5663886E-07 2 0.5972531E-07 3 0.2805664E-07 4 0.1379872E-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 -1 0 0.4120099E-17 1 0.1426438E-05 2 0.4817648E-06 3 0.1626633E-07 4 0.1988877E-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 0.1695192E-05 1 0.3394459E-05 2 0.8368531E-06 3 0.1743122E-07 4 0.2302398E-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 1 0 0.7865668E-17 1 0.1426438E-05 2 0.4817646E-06 3 0.1626629E-07 4 0.1988876E-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 0.3187445E-16 1 0.5663887E-07 2 0.5972534E-07 3 0.2805661E-07 4 0.1379871E-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 0.7678168E-18 1 0.2312084E-09 2 0.2630122E-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 0.9192828E-10 1 0.1480987E-09 2 0.1721901E-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 -2 0 0.3361916E-16 1 0.1056291E-07 2 0.3926640E-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 0.1730340E-17 1 0.2285896E-07 2 0.5578028E-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 0 0 0.7397907E-07 1 0.9479842E-07 2 0.4455052E-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 1 0 0.3010562E-17 1 0.2285898E-07 2 0.5578018E-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 0.6386772E-16 1 0.1056291E-07 2 0.3926647E-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 0.9192891E-10 1 0.1480988E-09 2 0.1721905E-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 0.2466018E-17 1 0.2312097E-09 2 0.2630133E-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 = 0.9976563 average vibrational energy (ev) = 0.000020 average rotational energy (ev) = 0.255397 average diffraction energy (ev) = 0.006070 the reaction probability = 0.2343693D-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 0.1001794E+01 0.8682845E-02 0.2480899E+00 1 0.1157314E-02 0.9375437E-02 0.1271904E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.7740359E-02 0 21 2 -2 0.2951258E-02 0 26 2 -1 0.6029357E-02 0 32 2 0 0.3066183E-01 0 37 2 1 0.6029358E-02 0 42 2 2 0.2951258E-02 0 13 4 -4 0.2144138E-02 0 17 4 -3 0.1001088E-01 0 22 4 -2 0.2214904E-01 0 27 4 -1 0.2069130E-01 0 33 4 0 0.1202515E+00 0 38 4 1 0.2069130E-01 0 43 4 2 0.2214904E-01 0 47 4 3 0.1001087E-01 0 51 4 4 0.2144138E-02 0 7 6 -6 0.5098302E-04 0 10 6 -5 0.5406794E-03 0 14 6 -4 0.3990375E-02 0 18 6 -3 0.1697211E-01 0 23 6 -2 0.4720282E-01 0 28 6 -1 0.1643003E-01 0 34 6 0 0.5319216E+00 0 39 6 1 0.1643002E-01 0 44 6 2 0.4720283E-01 0 48 6 3 0.1697211E-01 0 52 6 4 0.3990375E-02 0 55 6 5 0.5406793E-03 0 58 6 6 0.5098299E-04 0 3 8 -8 0.7927670E-08 0 5 8 -7 0.3389754E-07 0 8 8 -6 0.6092860E-07 0 11 8 -5 0.1724475E-06 0 15 8 -4 0.3620198E-05 0 19 8 -3 0.3435742E-04 0 24 8 -2 0.5834900E-04 0 29 8 -1 0.9940515E-03 0 35 8 0 0.1071169E-01 0 40 8 1 0.9940516E-03 0 45 8 2 0.5834907E-04 0 49 8 3 0.3435744E-04 0 53 8 4 0.3620198E-05 0 56 8 5 0.1724481E-06 0 59 8 6 0.6092494E-07 0 61 8 7 0.3389511E-07 0 63 8 8 0.7928438E-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 0.8200618E-03 1 21 2 -2 0.1024921E-04 1 26 2 -1 0.4088830E-04 1 32 2 0 0.2337463E-03 1 37 2 1 0.4088830E-04 1 42 2 2 0.1024920E-04 1 13 4 -4 0.6741945E-08 1 17 4 -3 0.5547538E-08 1 22 4 -2 0.4422769E-07 1 27 4 -1 0.3719430E-06 1 33 4 0 0.3738106E-06 1 38 4 1 0.3719429E-06 1 43 4 2 0.4422772E-07 1 47 4 3 0.5547528E-08 1 51 4 4 0.6741995E-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 0.2805718E-03 1 0.3260619E-02 2 0.3626658E-02 3 0.4752753E-03 4 0.6685544E-04 5 0.2548940E-04 6 0.4650744E-05 7 0.2276783E-06 8 0.9673511E-08 9 0.1186179E-08 v, j, mj = 0 2 -2 0 0.1642610E-11 1 0.1480479E-02 2 0.1228577E-02 3 0.1897227E-03 4 0.2753413E-04 5 0.1818909E-04 6 0.6119351E-05 7 0.6164416E-06 8 0.1947559E-07 9 0.1204614E-08 v, j, mj = 0 2 -1 0 0.9860953E-13 1 0.4173569E-02 2 0.1141895E-02 3 0.4442575E-03 4 0.2266204E-03 5 0.3899809E-04 6 0.3885489E-05 7 0.1235160E-06 8 0.6700446E-08 9 0.1170777E-08 v, j, mj = 0 2 0 0 0.2848553E-02 1 0.1846866E-01 2 0.7587957E-02 3 0.1723841E-02 4 0.2298212E-04 5 0.8424616E-05 6 0.1362759E-05 7 0.3735759E-07 8 0.2006084E-08 9 0.3561208E-08 v, j, mj = 0 2 1 0 0.4456560E-13 1 0.4173569E-02 2 0.1141896E-02 3 0.4442570E-03 4 0.2266204E-03 5 0.3899803E-04 6 0.3885516E-05 7 0.1235175E-06 8 0.6700461E-08 9 0.1170787E-08 v, j, mj = 0 2 2 0 0.1589067E-11 1 0.1480479E-02 2 0.1228577E-02 3 0.1897230E-03 4 0.2753412E-04 5 0.1818903E-04 6 0.6119316E-05 7 0.6164339E-06 8 0.1947547E-07 9 0.1204634E-08 v, j, mj = 0 4 -4 0 0.1408292E-11 1 0.9533197E-05 2 0.6089819E-03 3 0.9373908E-03 4 0.4584116E-03 5 0.1167167E-03 6 0.1273679E-04 7 0.3621855E-06 8 0.4062081E-08 9 0.3717379E-09 v, j, mj = 0 4 -3 0 0.1368229E-05 1 0.1376104E-02 2 0.5885557E-02 3 0.2407046E-02 4 0.3223844E-03 5 0.1772880E-04 6 0.6583221E-06 7 0.2605575E-07 8 0.1897474E-08 9 0.1211851E-08 v, j, mj = 0 4 -2 0 0.1119034E-10 1 0.1273518E-01 2 0.7434182E-02 3 0.1909843E-02 4 0.5650967E-04 5 0.1217853E-04 6 0.1126406E-05 7 0.2504672E-07 8 0.1171979E-08 9 0.5393708E-09 v, j, mj = 0 4 -1 0 0.2910264E-13 1 0.8802815E-02 2 0.7966540E-02 3 0.3862055E-02 4 0.5058306E-04 5 0.8885734E-05 6 0.4049063E-06 7 0.1510414E-07 8 0.2551742E-08 9 0.3690019E-08 v, j, mj = 0 4 0 0 0.6805262E-01 1 0.2319201E-01 2 0.2564016E-01 3 0.3339789E-02 4 0.1919831E-04 5 0.7431693E-05 6 0.2635308E-06 7 0.2222633E-07 8 0.1348256E-07 9 0.1714352E-08 v, j, mj = 0 4 1 0 0.2128841E-12 1 0.8802816E-02 2 0.7966538E-02 3 0.3862053E-02 4 0.5058284E-04 5 0.8885791E-05 6 0.4049086E-06 7 0.1510433E-07 8 0.2551762E-08 9 0.3690008E-08 v, j, mj = 0 4 2 0 0.1094887E-10 1 0.1273518E-01 2 0.7434180E-02 3 0.1909842E-02 4 0.5650962E-04 5 0.1217852E-04 6 0.1126409E-05 7 0.2504696E-07 8 0.1172005E-08 9 0.5393647E-09 v, j, mj = 0 4 3 0 0.1368176E-05 1 0.1376103E-02 2 0.5885557E-02 3 0.2407046E-02 4 0.3223845E-03 5 0.1772876E-04 6 0.6583182E-06 7 0.2605574E-07 8 0.1897482E-08 9 0.1211858E-08 v, j, mj = 0 4 4 0 0.1487592E-11 1 0.9533210E-05 2 0.6089817E-03 3 0.9373911E-03 4 0.4584118E-03 5 0.1167168E-03 6 0.1273678E-04 7 0.3621860E-06 8 0.4062066E-08 9 0.3717460E-09 v, j, mj = 0 6 -6 0 0.2057900E-07 1 0.2041730E-07 2 0.3109015E-05 3 0.2628651E-04 4 0.1918996E-04 5 0.2263453E-05 6 0.8194037E-07 7 0.1074215E-07 8 0.4028741E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.8481413E-13 1 0.5959681E-06 2 0.1348035E-03 3 0.2978746E-03 4 0.1009583E-03 5 0.6372694E-05 6 0.5347632E-07 7 0.1648547E-07 8 0.4434467E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2628969E-11 1 0.5847678E-04 2 0.2080650E-02 3 0.1667839E-02 4 0.1774593E-03 5 0.5839807E-05 6 0.1061218E-06 7 0.2521284E-08 8 0.9391072E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2497459E-05 1 0.3384969E-02 2 0.1246081E-01 3 0.1113582E-02 4 0.9854570E-05 5 0.3400469E-06 6 0.3448014E-07 7 0.7231732E-08 8 0.1084102E-07 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2038209E-10 1 0.4303004E-01 2 0.3364417E-02 3 0.6896309E-03 4 0.1173992E-03 5 0.1270045E-05 6 0.5726953E-07 7 0.7696033E-08 8 0.1242316E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.7026604E-13 1 0.1204166E-01 2 0.3488405E-02 3 0.8702795E-03 4 0.2930715E-04 5 0.3625945E-06 6 0.7382032E-08 7 0.3978241E-08 8 0.6255205E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.4847382E+00 1 0.3306445E-01 2 0.1114841E-01 3 0.2922005E-02 4 0.4825923E-04 5 0.2628623E-06 6 0.2641370E-07 7 0.2852380E-08 8 0.6533030E-09 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5848914E-13 1 0.1204166E-01 2 0.3488407E-02 3 0.8702793E-03 4 0.2930719E-04 5 0.3625928E-06 6 0.7381919E-08 7 0.3978254E-08 8 0.6255233E-09 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2003431E-10 1 0.4303004E-01 2 0.3364417E-02 3 0.6896315E-03 4 0.1173992E-03 5 0.1270051E-05 6 0.5726800E-07 7 0.7696044E-08 8 0.1242308E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.2495424E-05 1 0.3384969E-02 2 0.1246081E-01 3 0.1113582E-02 4 0.9854564E-05 5 0.3400487E-06 6 0.3447960E-07 7 0.7231760E-08 8 0.1084102E-07 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2651412E-11 1 0.5847645E-04 2 0.2080651E-02 3 0.1667839E-02 4 0.1774594E-03 5 0.5839808E-05 6 0.1061216E-06 7 0.2521280E-08 8 0.9391029E-09 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.9064596E-13 1 0.5959377E-06 2 0.1348036E-03 3 0.2978744E-03 4 0.1009582E-03 5 0.6372692E-05 6 0.5347650E-07 7 0.1648547E-07 8 0.4434448E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2057836E-07 1 0.2041908E-07 2 0.3108993E-05 3 0.2628652E-04 4 0.1918994E-04 5 0.2263452E-05 6 0.8194053E-07 7 0.1074221E-07 8 0.4028733E-09 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2628179E-15 1 0.7193737E-09 2 0.1345940E-08 3 0.1282075E-08 4 0.1924904E-08 5 0.2461537E-08 6 0.1938409E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2002377E-16 1 0.1710102E-08 2 0.1583330E-07 3 0.1383368E-07 4 0.9960638E-09 5 0.1446007E-08 6 0.7838759E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.7109284E-08 1 0.1425440E-07 2 0.2449233E-07 3 0.9480693E-08 4 0.4535996E-08 5 0.9700061E-09 6 0.8588896E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.8252007E-15 1 0.2269098E-07 2 0.1058417E-06 3 0.2229497E-07 4 0.1805698E-07 5 0.3457855E-08 6 0.1050958E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1309802E-13 1 0.1017359E-05 2 0.2009019E-05 3 0.5654230E-06 4 0.2098760E-07 5 0.6812156E-08 6 0.5966372E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2796667E-08 1 0.1021887E-04 2 0.2218836E-04 3 0.1856236E-05 4 0.6115536E-07 5 0.2826205E-07 6 0.1737433E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6855096E-13 1 0.3338391E-04 2 0.2430114E-04 3 0.6212816E-06 4 0.3587694E-07 5 0.6370888E-08 6 0.4207120E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3072828E-14 1 0.9625496E-03 2 0.2940307E-04 3 0.2020586E-05 4 0.3270521E-07 5 0.4406877E-07 6 0.1517510E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.7295831E-02 1 0.3409567E-02 2 0.3601644E-05 3 0.2610203E-05 4 0.7775015E-07 5 0.4517746E-08 6 0.7415914E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1775862E-14 1 0.9625497E-03 2 0.2940306E-04 3 0.2020592E-05 4 0.3270581E-07 5 0.4406884E-07 6 0.1517500E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6649178E-13 1 0.3338398E-04 2 0.2430113E-04 3 0.6212867E-06 4 0.3587728E-07 5 0.6370886E-08 6 0.4207140E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2798846E-08 1 0.1021888E-04 2 0.2218837E-04 3 0.1856237E-05 4 0.6115503E-07 5 0.2826201E-07 6 0.1737440E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1608650E-13 1 0.1017361E-05 2 0.2009017E-05 3 0.5654241E-06 4 0.2098766E-07 5 0.6812132E-08 6 0.5966328E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.6181521E-15 1 0.2269149E-07 2 0.1058417E-06 3 0.2229487E-07 4 0.1805709E-07 5 0.3457862E-08 6 0.1050957E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.7109407E-08 1 0.1425440E-07 2 0.2448891E-07 3 0.9480252E-08 4 0.4536067E-08 5 0.9700069E-09 6 0.8589005E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.2102444E-16 1 0.1708869E-08 2 0.1583222E-07 3 0.1383355E-07 4 0.9960565E-09 5 0.1446014E-08 6 0.7838815E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.9705184E-15 1 0.7193576E-09 2 0.1346403E-08 3 0.1282359E-08 4 0.1924933E-08 5 0.2461542E-08 6 0.1938424E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2427183E-03 1 0.4865756E-03 2 0.8579779E-04 3 0.4761469E-05 4 0.2025890E-06 5 0.6055189E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.2059939E-14 1 0.3134843E-05 2 0.6330271E-05 3 0.7695027E-06 4 0.1257437E-07 5 0.2015259E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.3517179E-16 1 0.2823066E-04 2 0.1228083E-04 3 0.3685722E-06 4 0.5743726E-08 5 0.2494362E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4809961E-04 1 0.1381455E-03 2 0.4472504E-04 3 0.2722261E-05 4 0.4942922E-07 5 0.4470280E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.5112193E-16 1 0.2823066E-04 2 0.1228083E-04 3 0.3685718E-06 4 0.5743732E-08 5 0.2494366E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3429293E-14 1 0.3134839E-05 2 0.6330270E-05 3 0.7695022E-06 4 0.1257436E-07 5 0.2015256E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1692324E-17 1 0.6384943E-09 2 0.1828068E-08 3 0.4275383E-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 0.4660982E-09 1 0.2964137E-08 2 0.2892204E-09 3 0.1828082E-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 -2 0 0.1012497E-17 1 0.1943995E-07 2 0.4023322E-08 3 0.2076442E-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 0.7314367E-18 1 0.2465363E-06 2 0.8867141E-07 3 0.3673525E-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 0.1233914E-06 1 0.3563763E-07 2 0.1617473E-06 3 0.5303430E-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 0.7658386E-17 1 0.2465362E-06 2 0.8867144E-07 3 0.3673520E-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 0.1923048E-16 1 0.1943998E-07 2 0.4023289E-08 3 0.2076445E-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 0.4661284E-09 1 0.2964095E-08 2 0.2892197E-09 3 0.1828085E-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 0.3641606E-17 1 0.6385176E-09 2 0.1828075E-08 3 0.4275403E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0029516 average vibrational energy (ev) = 0.000588 average rotational energy (ev) = 0.247818 average diffraction energy (ev) = 0.008684 the reaction probability = -0.2951567D-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 0.9983657E+00 0.1280627E-01 0.2467538E+00 1 0.3326817E-02 0.1600454E-01 0.3382029E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.8500689E-02 0 21 2 -2 0.4320148E-02 0 26 2 -1 0.1081306E-01 0 32 2 0 0.3053237E-01 0 37 2 1 0.1081306E-01 0 42 2 2 0.4320148E-02 0 13 4 -4 0.2887526E-02 0 17 4 -3 0.1412525E-01 0 22 4 -2 0.2555930E-01 0 27 4 -1 0.2005541E-01 0 33 4 0 0.1139170E+00 0 38 4 1 0.2005541E-01 0 43 4 2 0.2555930E-01 0 47 4 3 0.1412525E-01 0 51 4 4 0.2887527E-02 0 7 6 -6 0.4042714E-03 0 10 6 -5 0.2175933E-02 0 14 6 -4 0.1103106E-01 0 18 6 -3 0.3263979E-01 0 23 6 -2 0.5804571E-01 0 28 6 -1 0.2433198E-01 0 34 6 0 0.4023696E+00 0 39 6 1 0.2433198E-01 0 44 6 2 0.5804571E-01 0 48 6 3 0.3263979E-01 0 52 6 4 0.1103106E-01 0 55 6 5 0.2175933E-02 0 58 6 6 0.4042712E-03 0 3 8 -8 0.5020565E-07 0 5 8 -7 0.7834004E-07 0 8 8 -6 0.1898034E-06 0 11 8 -5 0.1930622E-05 0 15 8 -4 0.2693062E-04 0 19 8 -3 0.2265511E-03 0 24 8 -2 0.2341923E-03 0 29 8 -1 0.3098456E-02 0 35 8 0 0.2308922E-01 0 40 8 1 0.3098456E-02 0 45 8 2 0.2341925E-03 0 49 8 3 0.2265511E-03 0 53 8 4 0.2693060E-04 0 56 8 5 0.1930651E-05 0 59 8 6 0.1897827E-06 0 61 8 7 0.7830249E-07 0 63 8 8 0.5021064E-07 0 1 10 -10 0.1408273E-09 0 2 10 -9 0.2027893E-09 0 4 10 -8 0.2879145E-09 0 6 10 -7 0.5599746E-09 0 9 10 -6 0.8737471E-08 0 12 10 -5 0.2157801E-08 0 16 10 -4 0.8103844E-08 0 20 10 -3 0.5178333E-08 0 25 10 -2 0.3888409E-07 0 30 10 -1 0.7115138E-07 0 36 10 0 0.8936830E-06 0 41 10 1 0.7115108E-07 0 46 10 2 0.3888382E-07 0 50 10 3 0.5178291E-08 0 54 10 4 0.8103845E-08 0 57 10 5 0.2157815E-08 0 60 10 6 0.8737498E-08 0 62 10 7 0.5599777E-09 0 64 10 8 0.2879146E-09 0 65 10 9 0.2027908E-09 0 66 10 10 0.1408243E-09 1 31 0 0 0.9132665E-03 1 21 2 -2 0.6282879E-03 1 26 2 -1 0.1670784E-03 1 32 2 0 0.7419329E-03 1 37 2 1 0.1670784E-03 1 42 2 2 0.6282877E-03 1 13 4 -4 0.3449492E-07 1 17 4 -3 0.1321582E-06 1 22 4 -2 0.6616886E-05 1 27 4 -1 0.8992520E-05 1 33 4 0 0.4933274E-04 1 38 4 1 0.8992519E-05 1 43 4 2 0.6616886E-05 1 47 4 3 0.1321581E-06 1 51 4 4 0.3449785E-07 1 7 6 -6 0.5440259E-12 1 10 6 -5 0.1601927E-19 1 14 6 -4 0.3946248E-19 1 18 6 -3 0.1540071E-11 1 23 6 -2 0.2741344E-18 1 28 6 -1 0.9507940E-20 1 34 6 0 0.1049413E-09 1 39 6 1 0.6455620E-19 1 44 6 2 0.1499982E-18 1 48 6 3 0.1540008E-11 1 52 6 4 0.4368623E-20 1 55 6 5 0.2984101E-19 1 58 6 6 0.5440176E-12 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 0.2338684E-02 1 0.2265142E-02 2 0.2167843E-02 3 0.1482911E-02 4 0.1476055E-03 5 0.6840922E-04 6 0.2602225E-04 7 0.3936195E-05 8 0.1329915E-06 9 0.2864408E-08 v, j, mj = 0 2 -2 0 0.3734611E-11 1 0.2319086E-02 2 0.1693918E-02 3 0.1592291E-03 4 0.7576739E-04 5 0.5029142E-04 6 0.1897692E-04 7 0.2770658E-05 8 0.1067793E-06 9 0.1883527E-08 v, j, mj = 0 2 -1 0 0.1880897E-12 1 0.7548430E-02 2 0.1709115E-02 3 0.1003868E-02 4 0.4220256E-03 5 0.1168094E-03 6 0.1221314E-04 7 0.5904594E-06 8 0.1062140E-07 9 0.1011643E-08 v, j, mj = 0 2 0 0 0.1531794E-02 1 0.1643203E-01 2 0.8425098E-02 3 0.3595398E-02 4 0.4594393E-03 5 0.7066740E-04 6 0.1646031E-04 7 0.1432816E-05 8 0.4731781E-07 9 0.2182237E-08 v, j, mj = 0 2 1 0 0.2141324E-12 1 0.7548430E-02 2 0.1709116E-02 3 0.1003867E-02 4 0.4220259E-03 5 0.1168092E-03 6 0.1221317E-04 7 0.5904640E-06 8 0.1062156E-07 9 0.1011700E-08 v, j, mj = 0 2 2 0 0.3652745E-11 1 0.2319086E-02 2 0.1693918E-02 3 0.1592288E-03 4 0.7576721E-04 5 0.5029127E-04 6 0.1897686E-04 7 0.2770639E-05 8 0.1067785E-06 9 0.1883565E-08 v, j, mj = 0 4 -4 0 0.3883410E-11 1 0.2836980E-04 2 0.1118168E-02 3 0.1082479E-02 4 0.4688599E-03 5 0.1552813E-03 6 0.3223318E-04 7 0.2107458E-05 8 0.2660356E-07 9 0.1804943E-08 v, j, mj = 0 4 -3 0 0.3819480E-05 1 0.2935102E-02 2 0.8652276E-02 3 0.2254767E-02 4 0.2481614E-03 5 0.2887455E-04 6 0.2159059E-05 7 0.8932781E-07 8 0.2070575E-08 9 0.1631397E-08 v, j, mj = 0 4 -2 0 0.3127329E-10 1 0.1691953E-01 2 0.5726488E-02 3 0.2740923E-02 4 0.1265707E-03 5 0.4081790E-04 6 0.4740222E-05 7 0.2267698E-06 8 0.3082827E-08 9 0.7069627E-09 v, j, mj = 0 4 -1 0 0.4293410E-12 1 0.4516705E-02 2 0.9421384E-02 3 0.5927625E-02 4 0.1790837E-03 5 0.9948271E-05 6 0.6384320E-06 7 0.2216793E-07 8 0.2993110E-08 9 0.1695446E-08 v, j, mj = 0 4 0 0 0.4691111E-01 1 0.3495530E-01 2 0.2888233E-01 3 0.3109059E-02 4 0.2711380E-04 5 0.2890526E-04 6 0.2971255E-05 7 0.1715221E-06 8 0.1380486E-07 9 0.2112488E-08 v, j, mj = 0 4 1 0 0.1025240E-11 1 0.4516708E-02 2 0.9421382E-02 3 0.5927622E-02 4 0.1790833E-03 5 0.9948279E-05 6 0.6384373E-06 7 0.2216906E-07 8 0.2992935E-08 9 0.1695431E-08 v, j, mj = 0 4 2 0 0.3083981E-10 1 0.1691953E-01 2 0.5726487E-02 3 0.2740921E-02 4 0.1265705E-03 5 0.4081766E-04 6 0.4740235E-05 7 0.2267695E-06 8 0.3082986E-08 9 0.7069684E-09 v, j, mj = 0 4 3 0 0.3819541E-05 1 0.2935101E-02 2 0.8652277E-02 3 0.2254767E-02 4 0.2481617E-03 5 0.2887442E-04 6 0.2159065E-05 7 0.8932806E-07 8 0.2070558E-08 9 0.1631395E-08 v, j, mj = 0 4 4 0 0.4060831E-11 1 0.2836990E-04 2 0.1118167E-02 3 0.1082479E-02 4 0.4688604E-03 5 0.1552814E-03 6 0.3223320E-04 7 0.2107458E-05 8 0.2660344E-07 9 0.1804944E-08 v, j, mj = 0 6 -6 0 0.2460565E-06 1 0.1662383E-06 2 0.2288598E-04 3 0.1948251E-03 4 0.1545753E-03 5 0.3036576E-04 6 0.1163611E-05 7 0.3816938E-07 8 0.5220668E-08 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.4769173E-12 1 0.8807449E-05 2 0.6120982E-03 3 0.1182443E-02 4 0.3408048E-03 5 0.3110357E-04 6 0.6215546E-06 7 0.5060842E-07 8 0.3227699E-08 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1560428E-10 1 0.1820955E-03 2 0.7039211E-02 3 0.3542034E-02 4 0.2509044E-03 5 0.1622554E-04 6 0.5830843E-06 7 0.4705550E-08 8 0.6002823E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5851740E-05 1 0.7821272E-02 2 0.2416308E-01 3 0.6080761E-03 4 0.3945479E-04 5 0.1929211E-05 6 0.1213221E-06 7 0.7840260E-08 8 0.4269812E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.8331587E-10 1 0.5290990E-01 2 0.2251139E-02 3 0.2770003E-02 4 0.1128794E-03 5 0.1651046E-05 6 0.1201628E-06 7 0.8882422E-08 8 0.1171546E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2316316E-12 1 0.1205683E-01 2 0.9988186E-02 3 0.2206131E-02 4 0.8036403E-04 5 0.4465140E-06 6 0.2203605E-07 7 0.4942765E-08 8 0.1398535E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3178047E+00 1 0.7224515E-01 2 0.7889239E-02 3 0.4381165E-02 4 0.4851309E-04 5 0.7365598E-06 6 0.6040636E-07 7 0.6875206E-08 8 0.2093772E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.7860690E-13 1 0.1205682E-01 2 0.9988191E-02 3 0.2206131E-02 4 0.8036413E-04 5 0.4465160E-06 6 0.2203534E-07 7 0.4942886E-08 8 0.1398528E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.8253061E-10 1 0.5290991E-01 2 0.2251137E-02 3 0.2770004E-02 4 0.1128794E-03 5 0.1651064E-05 6 0.1201603E-06 7 0.8882406E-08 8 0.1171549E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.5847066E-05 1 0.7821273E-02 2 0.2416308E-01 3 0.6080772E-03 4 0.3945465E-04 5 0.1929215E-05 6 0.1213179E-06 7 0.7840330E-08 8 0.4269815E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1563176E-10 1 0.1820939E-03 2 0.7039211E-02 3 0.3542035E-02 4 0.2509050E-03 5 0.1622557E-04 6 0.5830854E-06 7 0.4705635E-08 8 0.6002833E-09 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.4757107E-12 1 0.8807248E-05 2 0.6120990E-03 3 0.1182443E-02 4 0.3408049E-03 5 0.3110358E-04 6 0.6215557E-06 7 0.5060852E-07 8 0.3227693E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2460533E-06 1 0.1662301E-06 2 0.2288595E-04 3 0.1948251E-03 4 0.1545751E-03 5 0.3036575E-04 6 0.1163609E-05 7 0.3816942E-07 8 0.5220668E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.9564583E-14 1 0.1211390E-07 2 0.1877042E-07 3 0.8873834E-08 4 0.4638669E-08 5 0.4348119E-08 6 0.1460704E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2348162E-15 1 0.1561326E-07 2 0.3340744E-07 3 0.1842986E-07 4 0.5358657E-08 5 0.4610000E-08 6 0.9208200E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.5183108E-07 1 0.1125097E-07 2 0.5221607E-07 3 0.4928461E-07 4 0.1796551E-07 5 0.5433801E-08 6 0.1821391E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1175871E-13 1 0.2406991E-06 2 0.6930552E-06 3 0.8689181E-06 4 0.1112754E-06 5 0.1401557E-07 6 0.2658225E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1765024E-12 1 0.2539791E-05 2 0.1847691E-04 3 0.5789808E-05 4 0.1116697E-06 5 0.1046842E-07 6 0.1972791E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.7317546E-08 1 0.6128602E-04 2 0.1513840E-03 3 0.1376113E-04 4 0.8159112E-07 5 0.1976338E-07 6 0.1121812E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6917264E-12 1 0.1432825E-03 2 0.8486032E-04 3 0.5726070E-05 4 0.3131414E-06 5 0.7668308E-08 6 0.2542456E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1948922E-13 1 0.3067875E-02 2 0.1602008E-04 3 0.1402790E-04 4 0.4460730E-06 5 0.5475176E-07 6 0.3187470E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1741772E-01 1 0.5451129E-02 2 0.2031105E-03 3 0.1678650E-04 4 0.3535183E-06 5 0.1094642E-06 6 0.3571080E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3255685E-14 1 0.3067875E-02 2 0.1602005E-04 3 0.1402792E-04 4 0.4460738E-06 5 0.5475136E-07 6 0.3187470E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6956418E-12 1 0.1432828E-03 2 0.8486028E-04 3 0.5726095E-05 4 0.3131402E-06 5 0.7668259E-08 6 0.2542511E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.7287453E-08 1 0.6128608E-04 2 0.1513841E-03 3 0.1376113E-04 4 0.8159090E-07 5 0.1976348E-07 6 0.1121813E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1863118E-12 1 0.2539789E-05 2 0.1847689E-04 3 0.5789813E-05 4 0.1116680E-06 5 0.1046829E-07 6 0.1972821E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1177688E-13 1 0.2407189E-06 2 0.6930596E-06 3 0.8689231E-06 4 0.1112760E-06 5 0.1401558E-07 6 0.2658222E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.5183043E-07 1 0.1124992E-07 2 0.5219845E-07 3 0.4928202E-07 4 0.1796661E-07 5 0.5433848E-08 6 0.1821395E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.7892624E-16 1 0.1559969E-07 2 0.3338851E-07 3 0.1842506E-07 4 0.5358491E-08 5 0.4609919E-08 6 0.9208146E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.5745147E-14 1 0.1210880E-07 2 0.1877208E-07 3 0.8881246E-08 4 0.4639687E-08 5 0.4348128E-08 6 0.1460692E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.9497489E-17 1 0.5528884E-10 2 0.8553848E-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 -9 0 0.4054185E-10 1 0.7318422E-10 2 0.8906320E-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 0.4267073E-16 1 0.2361460E-09 2 0.5176842E-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 0.4809366E-18 1 0.1741962E-09 2 0.3857783E-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 -6 0 0.5490330E-09 1 0.6605200E-08 2 0.1583238E-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 0.3534488E-17 1 0.1436558E-08 2 0.7212427E-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 -4 0 0.2128693E-16 1 0.6478087E-08 2 0.1625757E-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 -3 0 0.7812653E-10 1 0.2082373E-08 2 0.3017834E-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 0.1974944E-17 1 0.3563225E-07 2 0.3251842E-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 0.1797756E-16 1 0.5956818E-07 2 0.1158321E-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 0.2223051E-06 1 0.3855596E-06 2 0.2858183E-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 1 0 0.5084347E-17 1 0.5956773E-07 2 0.1158336E-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 2 0 0.3028271E-16 1 0.3563191E-07 2 0.3251908E-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 3 0 0.7813881E-10 1 0.2082334E-08 2 0.3017818E-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 0.2651043E-16 1 0.6478112E-08 2 0.1625733E-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 0.9866371E-17 1 0.1436558E-08 2 0.7212563E-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 6 0 0.5490397E-09 1 0.6605223E-08 2 0.1583235E-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 0.1132598E-17 1 0.1741999E-09 2 0.3857778E-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 0.2716966E-16 1 0.2361436E-09 2 0.5177096E-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 9 0 0.4054433E-10 1 0.7318388E-10 2 0.8906256E-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 10 0 0.9795505E-17 1 0.5528715E-10 2 0.8553715E-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 0 0 0 0.3756985E-03 1 0.4896514E-03 2 0.3611378E-04 3 0.8899277E-05 4 0.2816258E-05 5 0.8543307E-07 6 0.1829144E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.9832760E-13 1 0.1310688E-03 2 0.3943834E-03 3 0.9958200E-04 4 0.3233197E-05 5 0.2020669E-07 6 0.2877486E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.8643011E-15 1 0.1204153E-03 2 0.4592507E-04 3 0.6956509E-06 4 0.3858641E-07 5 0.3047443E-08 6 0.7663071E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.2761382E-03 1 0.4277084E-03 2 0.2798005E-04 3 0.9132231E-05 4 0.9439387E-06 5 0.2943015E-07 6 0.6371113E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.8242443E-16 1 0.1204153E-03 2 0.4592507E-04 3 0.6956518E-06 4 0.3858697E-07 5 0.3047504E-08 6 0.7663075E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1114373E-12 1 0.1310687E-03 2 0.3943833E-03 3 0.9958199E-04 4 0.3233199E-05 5 0.2020663E-07 6 0.2877475E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.6640285E-15 1 0.4897379E-08 2 0.1063761E-07 3 0.1236010E-07 4 0.6599832E-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 0.1516227E-08 1 0.2557566E-07 2 0.8700102E-07 3 0.1363181E-07 4 0.4433483E-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 0.9570252E-15 1 0.2243258E-05 2 0.3950828E-05 3 0.4071523E-06 4 0.1564810E-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 -1 0 0.1096015E-15 1 0.6739196E-05 2 0.2236637E-05 3 0.1304029E-07 4 0.3647183E-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 0.2419566E-04 1 0.2447304E-04 2 0.3775232E-06 3 0.2740776E-06 4 0.1243734E-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 1 0 0.2571136E-16 1 0.6739195E-05 2 0.2236637E-05 3 0.1303967E-07 4 0.3647168E-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 0.1254465E-14 1 0.2243258E-05 2 0.3950828E-05 3 0.4071524E-06 4 0.1564811E-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 3 0 0.1516200E-08 1 0.2557611E-07 2 0.8700057E-07 3 0.1363177E-07 4 0.4433468E-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 0.4842790E-15 1 0.4899968E-08 2 0.1063813E-07 3 0.1235997E-07 4 0.6599781E-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 = 1.0016925 average vibrational energy (ev) = 0.001692 average rotational energy (ev) = 0.246047 average diffraction energy (ev) = 0.012817 the reaction probability = -0.1692483D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 96528.1057 (a) ... Propagating the wavefunction 94418.1288 (b) Setup time 1870.3886 Saving the wave function for rerun 70.2699 Calculating averages 4.7745 Calculating and saving BK-coeffs 12.8479 Asymptotic analysis 3.3570 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 96379.7667 (a) ... FFTs along X and Y 4555.6957 Kinetic energy operation along Z 24824.0980 Kinetic energy operation along r 19513.9985 Potential energy multiplication 11970.6615 Legengre transforms 27366.9621 Shifting the wavefunction 2000.2533 Kinetic energy multiplications (xy) 427.8129 Absorbing the wavefunction 519.5293 Projection formalism 16.2614 Operations on specular grid 0.1727 ----------------------------------------------------- Sum 91195.4454 (b) ... Potential initialisation time 0.0000 Potential setup time 1832.0182 FFTs along X 2349.2191 FFTs along Y 2206.4767 Time spent on FGH for asympwf 0.4131 Ending date and time: Tue Jul 30 15:33:30 CEST 2019