GENERAL INFO
| Title: | /PMoW P01Mo04W05O34-2H-iso-230418 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/115064 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | H2Mo4O34PW5 |
| Calculation type: | Geometry optimization (Solvation) |
| Method(s): | DFT ( PBEc PBEx ) | PW92 == Not Default == |
| Core Treatment : | Frozen Orbital(s) |
| Symmetry : | NOSYM |
| Temperature | 298.150000 K |
| Pressure | 1.000000 atm |
MOLECULAR INFO
| Charge: | -7 |
| Multiplicity: | 1 |
Solvation input
| Division Level for Surface Triangles (NDIV) | 3 | |
| Final Division Level for Triangles (NFDIV) | 1 | |
| Radius of the Solvent (RSOL) | 1.93000 | Å |
| Dielectric Constant (EPSL) | 78.39000 | |
| COSMO equation is solved iteratively- | conjugate-gradient | |
| Maximun of Iterations for Charges (NCIX) | 1000 | |
| Criterion for Charge convergence (CCNV) | 1.0E-08 | |
| Geometry-dependent empirical factor | 0.00000 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.35 |
| System | 0.02 |
| Elapsed | 0.40 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.59 |
| System | 0.03 |
| Elapsed | 0.66 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.76 |
| System | 0.02 |
| Elapsed | 0.81 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 1.33 |
| System | 0.04 |
| Elapsed | 1.41 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.44 |
| System | 0.04 |
| Elapsed | 0.51 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -302.4385 | eV |
| Kinetic Energy | 350.3099 | eV |
| Coulomb (Steric+OrbInt) Energy | -42.5913 | eV |
| XC Energy | -340.6668 | eV |
| Solvation | -61.2560 | eV |
| Total Bonding Energy | -396.6427 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000063369 |
| Orthogonalized Fragments: | 0.00039191485324 |
| SCF: | 0.00023912624961 |
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Multipole Derived Atomic Charges
Multipole Derived Atomic Charges (a.u.)
Multipole molecular moments
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -21.43317930 | -0.37203820 | 0.87233453 | 21.45415006 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 65.39861903 | 18.20557639 | -0.26839985 | -33.06500788 | 7.90805307 | -32.33361116 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 3.681770 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 48.476 | 40.454 | 196.293 | 285.224 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 116.357 | 118.134 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 185.295 | 191.257 | |
| G (kJ.mol-1 // kcal.mol-1) | -38129.2 // -9113.1 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Mo | 0.363927 | -3.024103 | -1.843900 |
| Mo | -0.463894 | 3.129665 | 1.782215 |
| Mo | 3.011591 | -0.589869 | 1.973939 |
| Mo | -0.066296 | -0.088091 | 3.654471 |
| O | 0.022659 | 0.179812 | -5.373994 |
| O | 3.848610 | 3.588087 | -0.033021 |
| O | -0.082952 | 0.127147 | 5.393187 |
| O | 0.589054 | -0.699874 | -1.286708 |
| O | -1.646065 | -0.322417 | -0.023419 |
| O | 0.222189 | 1.474070 | -0.017680 |
| O | 0.549593 | -0.709763 | 1.283257 |
| O | -1.315867 | -3.150414 | 1.590535 |
| O | 0.121388 | 1.766333 | -2.964638 |
| O | -1.781443 | -0.142833 | 3.195869 |
| O | 2.905460 | 1.285099 | -1.373540 |
| O | -2.214674 | 2.146168 | -1.716719 |
| O | 3.364613 | -0.934300 | -0.024374 |
| O | -2.174338 | 2.169046 | 1.811780 |
| O | 0.912822 | -3.263582 | -0.015585 |
| O | 0.119116 | 1.742973 | 3.020906 |
| O | -1.359896 | -3.108170 | -1.576430 |
| O | 2.874004 | 1.267750 | 1.275364 |
| O | -1.740783 | -0.069160 | -3.148770 |
| O | 2.049841 | -0.055596 | -3.453691 |
| O | -0.950426 | 4.412300 | -2.716733 |
| O | 1.314718 | 3.501668 | -1.267468 |
| O | 0.243127 | -2.009512 | 3.536964 |
| O | 2.450608 | -2.380134 | -2.180878 |
| O | -0.978344 | 3.853551 | 0.074699 |
| O | 2.488090 | -2.357554 | 2.067530 |
| O | 0.846168 | -4.588924 | 2.502160 |
| O | 2.079412 | -0.064856 | 3.480032 |
| O | 0.138943 | -1.964094 | -3.560536 |
| O | 1.370652 | 3.469021 | 1.373309 |
| O | 0.740106 | -4.591615 | -2.542403 |
| O | 4.668696 | -0.696965 | -2.509220 |
| O | -0.814205 | 4.470934 | 2.838206 |
| O | 4.670200 | -0.621180 | 2.534406 |
| W | 0.142152 | -0.067431 | -3.644380 |
| W | 2.433291 | 2.548696 | -0.066362 |
| W | 0.417511 | -3.004430 | 1.852187 |
| W | 3.045129 | -0.673514 | -1.839217 |
| W | -0.648447 | 3.008651 | -1.698068 |
| P | -0.172262 | -0.081699 | -0.004785 |
| H | -2.096118 | 1.222079 | 2.118360 |
| H | -1.985862 | 0.637929 | -2.476857 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 46 |
| 3,-1 | 69 |
| 3,+1 | 33 |
| 3,+3 | 9 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | 0.363927 | -3.024103 | -1.843900 | 0.1240649E+06 |
| 2 | -0.463894 | 3.129665 | 1.782215 | 0.1240650E+06 |
| 3 | 3.011591 | -0.589869 | 1.973939 | 0.1240651E+06 |
| 4 | -0.066296 | -0.088091 | 3.654471 | 0.1240650E+06 |
| 5 | 0.022659 | 0.179812 | -5.373994 | 0.3192496E+03 |
| 6 | 3.848610 | 3.588087 | -0.033021 | 0.3192305E+03 |
| 7 | -0.082952 | 0.127147 | 5.393187 | 0.3193471E+03 |
| 8 | 0.589054 | -0.699874 | -1.286708 | 0.3187993E+03 |
| 9 | -1.646065 | -0.322417 | -0.023419 | 0.3189595E+03 |
| 10 | 0.222189 | 1.474070 | -0.017680 | 0.3187916E+03 |
| 11 | 0.549593 | -0.709763 | 1.283257 | 0.3188013E+03 |
| 12 | -1.315867 | -3.150414 | 1.590535 | 0.3192658E+03 |
| 13 | 0.121388 | 1.766333 | -2.964638 | 0.3188459E+03 |
| 14 | -1.781443 | -0.142833 | 3.195869 | 0.3193292E+03 |
| 15 | 2.905460 | 1.285099 | -1.373540 | 0.3188887E+03 |
| 16 | -2.214674 | 2.146168 | -1.716719 | 0.3191945E+03 |
| 17 | 3.364613 | -0.934300 | -0.024374 | 0.3189320E+03 |
| 18 | -2.174338 | 2.169046 | 1.811780 | 0.3187714E+03 |
| 19 | 0.912822 | -3.263582 | -0.015585 | 0.3188907E+03 |
| 20 | 0.119116 | 1.742973 | 3.020906 | 0.3189786E+03 |
| 21 | -1.359896 | -3.108170 | -1.576430 | 0.3194190E+03 |
| 22 | 2.874004 | 1.267750 | 1.275364 | 0.3189249E+03 |
| 23 | -1.740783 | -0.069160 | -3.148770 | 0.3187063E+03 |
| 24 | 2.049841 | -0.055596 | -3.453691 | 0.3189290E+03 |
| 25 | -0.950426 | 4.412300 | -2.716733 | 0.3192199E+03 |
| 26 | 1.314718 | 3.501668 | -1.267468 | 0.3189653E+03 |
| 27 | 0.243127 | -2.009512 | 3.536964 | 0.3189620E+03 |
| 28 | 2.450608 | -2.380134 | -2.180878 | 0.3190440E+03 |
| 29 | -0.978344 | 3.853551 | 0.074699 | 0.3189888E+03 |
| 30 | 2.488090 | -2.357554 | 2.067530 | 0.3191069E+03 |
| 31 | 0.846168 | -4.588924 | 2.502160 | 0.3192074E+03 |
| 32 | 2.079412 | -0.064856 | 3.480032 | 0.3191129E+03 |
| 33 | 0.138943 | -1.964094 | -3.560536 | 0.3189740E+03 |
| 34 | 1.370652 | 3.469021 | 1.373309 | 0.3190205E+03 |
| 35 | 0.740106 | -4.591615 | -2.542403 | 0.3193370E+03 |
| 36 | 4.668696 | -0.696965 | -2.509220 | 0.3192281E+03 |
| 37 | -0.814205 | 4.470934 | 2.838206 | 0.3193781E+03 |
| 38 | 4.670200 | -0.621180 | 2.534406 | 0.3193424E+03 |
| 39 | 0.142152 | -0.067431 | -3.644380 | 0.4361415E+07 |
| 40 | 2.433291 | 2.548696 | -0.066362 | 0.4361415E+07 |
| 41 | 0.417511 | -3.004430 | 1.852187 | 0.4361415E+07 |
| 42 | 3.045129 | -0.673514 | -1.839217 | 0.4361415E+07 |
| 43 | -0.648447 | 3.008651 | -1.698068 | 0.4361415E+07 |
| 44 | -0.172262 | -0.081699 | -0.004785 | 0.2439639E+04 |
| 45 | -2.096118 | 1.222079 | 2.118360 | 0.4425783E+00 |
| 46 | -1.985862 | 0.637929 | -2.476857 | 0.4328487E+00 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 47 | -1.971418 | 0.774599 | 2.504859 | 0.3827570E-01 | 0.1157411E+00 | 0.6047692E-01 | 0.2588199E+01 | 0.1190346E-01 | 0.3177188E-01 | -0.3460849E-01 | -0.2836615E-02 |
| 48 | -1.929358 | 0.479834 | -2.627236 | 0.3089843E+00 | -0.1537526E+01 | 0.5270552E+01 | -0.6329236E+01 | 0.4417364E-02 | 0.1492192E+00 | -0.6828200E+00 | -0.5336008E+00 |
| 49 | -1.665498 | 0.004376 | -1.547279 | 0.8034372E-02 | 0.3099175E-01 | 0.1568143E-02 | 0.7166169E+00 | 0.5815819E+00 | 0.6090675E-02 | -0.4433413E-02 | 0.1657262E-02 |
| 51 | -1.814856 | 0.911468 | -0.928191 | 0.8528756E-02 | 0.3262758E-01 | 0.1795037E-02 | 0.7519190E+00 | 0.1769552E+00 | 0.6460152E-02 | -0.4763407E-02 | 0.1696745E-02 |
| 52 | -1.822581 | 0.822163 | 1.026260 | 0.7909393E-02 | 0.3010580E-01 | 0.1532614E-02 | 0.7186789E+00 | 0.3350074E+00 | 0.5919150E-02 | -0.4311850E-02 | 0.1607300E-02 |
| 54 | -1.593374 | -0.105298 | 1.599911 | 0.6261694E-02 | 0.2294360E-01 | 0.7869360E-03 | 0.6389075E+00 | 0.4323579E+00 | 0.4434718E-02 | -0.3133537E-02 | 0.1301182E-02 |
| 55 | -2.044852 | 1.151877 | -2.239179 | 0.4472188E-01 | 0.1252527E+00 | 0.8279972E-01 | 0.3099983E+01 | 0.1517685E-01 | 0.3705385E-01 | -0.4279451E-01 | -0.5740661E-02 |
| 56 | -1.283441 | -1.703012 | -0.819689 | 0.6087708E-02 | 0.2319773E-01 | 0.8337308E-03 | 0.6029168E+00 | 0.1835846E+01 | 0.4449051E-02 | -0.3098669E-02 | 0.1350382E-02 |
| 65 | 0.101423 | -1.098191 | 3.570585 | 0.1324722E+00 | 0.5135794E+00 | 0.8962611E+00 | 0.4618987E+01 | 0.4566963E-01 | 0.1844389E+00 | -0.2404830E+00 | -0.5604407E-01 |
| 67 | 0.140250 | -1.077184 | -3.580081 | 0.1598576E+00 | 0.6313682E+00 | 0.1386863E+01 | 0.5139084E+01 | 0.5697561E-01 | 0.2404220E+00 | -0.3230019E+00 | -0.8257992E-01 |
| 71 | 0.137088 | -0.329981 | -0.518811 | 0.1796809E+00 | 0.4973110E+00 | 0.1396096E+01 | 0.7927840E+01 | 0.5683181E-02 | 0.2471602E+00 | -0.3699927E+00 | -0.1228325E+00 |
| 72 | 1.752706 | -0.644017 | 1.600349 | 0.3092483E-01 | 0.1216521E+00 | 0.3227334E-01 | 0.1725861E+01 | 0.6722691E-01 | 0.2902346E-01 | -0.2763389E-01 | 0.1389566E-02 |
| 74 | 0.234967 | -0.393661 | 2.430977 | 0.3378089E-01 | 0.1291672E+00 | 0.3888037E-01 | 0.1883270E+01 | 0.4666659E-01 | 0.3166357E-01 | -0.3103534E-01 | 0.6282350E-03 |
| 75 | 0.077673 | 0.065701 | -4.578554 | 0.2350449E+00 | 0.8602824E+00 | 0.2968021E+01 | 0.7170622E+01 | 0.3062981E-02 | 0.4004121E+00 | -0.5857536E+00 | -0.1853415E+00 |
| 76 | -0.850270 | -0.050982 | -3.360999 | 0.1440687E+00 | 0.5478465E+00 | 0.1074186E+01 | 0.4980087E+01 | 0.1114671E+00 | 0.2049879E+00 | -0.2730141E+00 | -0.6802625E-01 |
| 77 | 0.354050 | -0.376623 | -2.421510 | 0.3942489E-01 | 0.1470060E+00 | 0.5233865E-01 | 0.2140732E+01 | 0.2252321E-01 | 0.3761352E-01 | -0.3847554E-01 | -0.8620158E-03 |
| 78 | 0.121792 | -0.335267 | 0.511644 | 0.1833002E+00 | 0.5288835E+00 | 0.1517518E+01 | 0.7706516E+01 | 0.8944779E-02 | 0.2579743E+00 | -0.3837277E+00 | -0.1257534E+00 |
| 81 | 0.388107 | 3.253498 | -1.460568 | 0.1045911E+00 | 0.4240473E+00 | 0.5546486E+00 | 0.3773031E+01 | 0.1194099E-01 | 0.1373389E+00 | -0.1686659E+00 | -0.3132704E-01 |
| 84 | 0.505432 | 3.290967 | 1.553053 | 0.1454945E+00 | 0.5858864E+00 | 0.1128186E+01 | 0.4733810E+01 | 0.6208745E-01 | 0.2132092E+00 | -0.2799468E+00 | -0.6673758E-01 |
| 85 | 1.479734 | 1.521177 | -2.113874 | 0.5639358E-02 | 0.2294582E-01 | 0.7231301E-03 | 0.5365691E+00 | 0.4856263E+01 | 0.4337305E-02 | -0.2938154E-02 | 0.1399151E-02 |
| 86 | 1.447594 | -2.670212 | -2.012654 | 0.7042037E-01 | 0.2845065E+00 | 0.2285012E+00 | 0.2908605E+01 | 0.1038483E-01 | 0.8189763E-01 | -0.9266863E-01 | -0.1077100E-01 |
| 88 | 1.499109 | -2.648076 | 1.958950 | 0.7953546E-01 | 0.3185664E+00 | 0.2975422E+00 | 0.3181861E+01 | 0.9837562E-02 | 0.9532914E-01 | -0.1110167E+00 | -0.1568755E-01 |
| 92 | 0.466860 | -1.831779 | -1.536648 | 0.4560010E-01 | 0.1736795E+00 | 0.7935247E-01 | 0.2309268E+01 | 0.2606180E-01 | 0.4565793E-01 | -0.4789599E-01 | -0.2238061E-02 |
| 93 | 0.471962 | -1.822772 | 1.533671 | 0.5124648E-01 | 0.1931385E+00 | 0.1007255E+00 | 0.2522615E+01 | 0.2085429E-01 | 0.5249034E-01 | -0.5669605E-01 | -0.4205713E-02 |
| 97 | -1.145155 | -3.119252 | 0.000149 | 0.5784277E-02 | 0.2394705E-01 | 0.8191809E-03 | 0.5363433E+00 | 0.4840823E+01 | 0.4526335E-02 | -0.3065908E-02 | 0.1460428E-02 |
| 98 | 3.196796 | 3.110305 | -0.048207 | 0.2319971E+00 | 0.8518013E+00 | 0.2892823E+01 | 0.7086182E+01 | 0.4686604E-02 | 0.3934677E+00 | -0.5739850E+00 | -0.1805174E+00 |
| 99 | 2.961003 | 0.359321 | -1.583600 | 0.1153393E+00 | 0.4824653E+00 | 0.7178427E+00 | 0.3903394E+01 | 0.1430958E-01 | 0.1588797E+00 | -0.1971431E+00 | -0.3826341E-01 |
| 101 | 2.927588 | 0.381739 | 1.592586 | 0.1169162E+00 | 0.4864482E+00 | 0.7268590E+00 | 0.3960052E+01 | 0.1220482E-01 | 0.1613397E+00 | -0.2010674E+00 | -0.3972767E-01 |
| 102 | 2.677712 | 1.861342 | -0.755282 | 0.1645087E+00 | 0.6805568E+00 | 0.1540302E+01 | 0.5001075E+01 | 0.2562129E-01 | 0.2552393E+00 | -0.3403394E+00 | -0.8510009E-01 |
| 103 | 3.921518 | -0.686551 | -2.201434 | 0.2319211E+00 | 0.8455237E+00 | 0.2874816E+01 | 0.7134897E+01 | 0.3329931E-02 | 0.3922841E+00 | -0.5731873E+00 | -0.1809032E+00 |
| 104 | 3.896646 | -0.606874 | 2.273124 | 0.2195710E+00 | 0.7897287E+00 | 0.2522351E+01 | 0.6973118E+01 | 0.3319102E-02 | 0.3610744E+00 | -0.5247167E+00 | -0.1636423E+00 |
| 108 | -0.978829 | -0.115199 | 3.403921 | 0.2059439E+00 | 0.7869832E+00 | 0.2298544E+01 | 0.6288725E+01 | 0.1972885E-01 | 0.3373772E+00 | -0.4780086E+00 | -0.1406314E+00 |
| 109 | -0.074827 | 0.026301 | 4.582831 | 0.2189441E+00 | 0.7952499E+00 | 0.2530103E+01 | 0.6891784E+01 | 0.1048559E-01 | 0.3609038E+00 | -0.5229951E+00 | -0.1620913E+00 |
| 110 | 1.155584 | -0.064352 | -3.523683 | 0.1517999E+00 | 0.6118598E+00 | 0.1255724E+01 | 0.4864971E+01 | 0.4670199E-01 | 0.2260050E+00 | -0.2990450E+00 | -0.7304003E-01 |
| 112 | -0.008421 | 0.543467 | -0.010067 | 0.1829933E+00 | 0.5274964E+00 | 0.1512677E+01 | 0.7705230E+01 | 0.8461817E-02 | 0.2572694E+00 | -0.3826648E+00 | -0.1253953E+00 |
| 113 | 0.120372 | 0.900579 | -3.268147 | 0.1349665E+00 | 0.5599435E+00 | 0.1001591E+01 | 0.4370308E+01 | 0.1330100E-01 | 0.1952875E+00 | -0.2505891E+00 | -0.5530161E-01 |
| 120 | 3.183430 | -0.760799 | 0.923007 | 0.9830532E-01 | 0.4130179E+00 | 0.5031754E+00 | 0.3493596E+01 | 0.7443039E-02 | 0.1289579E+00 | -0.1546613E+00 | -0.2570341E-01 |
| 121 | -0.209893 | 2.197489 | -0.844044 | 0.4388399E-01 | 0.1627141E+00 | 0.6816140E-01 | 0.2312233E+01 | 0.1523134E-01 | 0.4279538E-01 | -0.4491224E-01 | -0.2116860E-02 |
| 122 | 1.784232 | -0.673987 | -1.535520 | 0.3608151E-01 | 0.1338619E+00 | 0.4216337E-01 | 0.2028138E+01 | 0.3681734E-01 | 0.3362241E-01 | -0.3377935E-01 | -0.1569411E-03 |
| 123 | -0.775398 | -0.180067 | -0.012861 | 0.2310251E+00 | 0.1082840E+01 | 0.3780674E+01 | 0.5535380E+01 | 0.6177685E-02 | 0.4302205E+00 | -0.5897309E+00 | -0.1595104E+00 |
| 124 | 1.053425 | -0.079999 | 3.543668 | 0.8054824E-01 | 0.3227882E+00 | 0.3057590E+00 | 0.3207172E+01 | 0.6235057E-02 | 0.9693292E-01 | -0.1131688E+00 | -0.1623587E-01 |
| 126 | -0.121610 | 2.266444 | 0.868400 | 0.3278044E-01 | 0.1271529E+00 | 0.3634800E-01 | 0.1819610E+01 | 0.2151962E-01 | 0.3083250E-01 | -0.2987679E-01 | 0.9557103E-03 |
| 128 | 0.671560 | -3.129035 | 0.856291 | 0.1367118E+00 | 0.5634146E+00 | 0.1032883E+01 | 0.4437395E+01 | 0.4059748E-02 | 0.1980730E+00 | -0.2552923E+00 | -0.5721934E-01 |
| 129 | 0.650091 | -3.858707 | 2.203585 | 0.2265397E+00 | 0.8433945E+00 | 0.2781549E+01 | 0.6878434E+01 | 0.1954131E-01 | 0.3822838E+00 | -0.5537190E+00 | -0.1714352E+00 |
| 130 | 0.642899 | -3.136549 | -0.874443 | 0.1374842E+00 | 0.5622476E+00 | 0.1022869E+01 | 0.4488558E+01 | 0.9716449E-02 | 0.1988613E+00 | -0.2571607E+00 | -0.5829941E-01 |
| 131 | 0.251837 | -2.449481 | -2.732417 | 0.1088555E+00 | 0.4184322E+00 | 0.5796140E+00 | 0.4087004E+01 | 0.2599893E-01 | 0.1409943E+00 | -0.1773805E+00 | -0.3638623E-01 |
| 132 | 0.327628 | -2.460511 | 2.735253 | 0.1354725E+00 | 0.5270344E+00 | 0.9592264E+00 | 0.4672251E+01 | 0.3359496E-01 | 0.1904406E+00 | -0.2491226E+00 | -0.5868201E-01 |
| 135 | 1.822967 | 3.045120 | -0.702584 | 0.1609056E+00 | 0.6339172E+00 | 0.1397301E+01 | 0.5174470E+01 | 0.4092936E-01 | 0.2423273E+00 | -0.3261752E+00 | -0.8384796E-01 |
| 136 | -0.557038 | -3.065471 | -1.702388 | 0.2213922E+00 | 0.8520337E+00 | 0.2710218E+01 | 0.6552800E+01 | 0.1271819E-01 | 0.3746392E+00 | -0.5362700E+00 | -0.1616308E+00 |
| 137 | -0.242452 | 2.337348 | -2.361926 | 0.1428788E+00 | 0.5863584E+00 | 0.1129582E+01 | 0.4589124E+01 | 0.1092538E-01 | 0.2098460E+00 | -0.2731025E+00 | -0.6325645E-01 |
| 138 | -0.167173 | 2.382987 | 2.422985 | 0.1297992E+00 | 0.5306615E+00 | 0.8949181E+00 | 0.4320981E+01 | 0.1783590E-01 | 0.1839843E+00 | -0.2353033E+00 | -0.5131898E-01 |
| 139 | 1.303578 | 1.970082 | -0.041220 | 0.4102882E-01 | 0.1553174E+00 | 0.5907549E-01 | 0.2165416E+01 | 0.4227318E-01 | 0.3989986E-01 | -0.4097036E-01 | -0.1070500E-02 |
| 140 | 1.859185 | 3.021558 | 0.692248 | 0.1200080E+00 | 0.4756622E+00 | 0.7435649E+00 | 0.4229915E+01 | 0.1658456E-01 | 0.1631108E+00 | -0.2073061E+00 | -0.4419527E-01 |
| 141 | 3.202829 | -0.800964 | -0.864130 | 0.1717647E+00 | 0.7122975E+00 | 0.1688077E+01 | 0.5134618E+01 | 0.2787795E-01 | 0.2711069E+00 | -0.3641395E+00 | -0.9303254E-01 |
| 143 | 2.718028 | -1.523652 | 2.013987 | 0.1727138E+00 | 0.6572230E+00 | 0.1569398E+01 | 0.5616237E+01 | 0.5086999E-01 | 0.2633339E+00 | -0.3623620E+00 | -0.9902811E-01 |
| 144 | 2.503063 | -0.343234 | -2.681980 | 0.1251846E+00 | 0.4961563E+00 | 0.8154766E+00 | 0.4350901E+01 | 0.1114344E-01 | 0.1726397E+00 | -0.2212403E+00 | -0.4860061E-01 |
| 145 | 2.502537 | -0.310795 | 2.762799 | 0.1712764E+00 | 0.6623969E+00 | 0.1562436E+01 | 0.5495291E+01 | 0.5618858E-01 | 0.2620688E+00 | -0.3585384E+00 | -0.9646958E-01 |
| 146 | -2.112051 | 1.435216 | 2.049170 | 0.3170173E+00 | -0.1594880E+01 | 0.5571538E+01 | -0.6368299E+01 | 0.6026461E-02 | 0.1573814E+00 | -0.7134827E+00 | -0.5561013E+00 |
| 147 | -0.811263 | 3.766810 | -2.247300 | 0.2295216E+00 | 0.8481423E+00 | 0.2843740E+01 | 0.6990642E+01 | 0.1456605E-01 | 0.3884012E+00 | -0.5647668E+00 | -0.1763656E+00 |
| 148 | -0.813010 | 3.440658 | -0.752242 | 0.1261999E+00 | 0.4958012E+00 | 0.8269036E+00 | 0.4413032E+01 | 0.2797095E-01 | 0.1737996E+00 | -0.2236490E+00 | -0.4984934E-01 |
| 149 | -0.729964 | 3.492151 | 0.871501 | 0.1404337E+00 | 0.5558156E+00 | 0.1033687E+01 | 0.4704008E+01 | 0.5820422E-01 | 0.2015760E+00 | -0.2641981E+00 | -0.6262208E-01 |
| 150 | -0.651132 | 3.845945 | 2.345782 | 0.2242237E+00 | 0.8057328E+00 | 0.2640818E+01 | 0.7077684E+01 | 0.1886083E-02 | 0.3719022E+00 | -0.5423712E+00 | -0.1704690E+00 |
| 151 | -0.518206 | -3.081072 | 1.711328 | 0.2297627E+00 | 0.8900628E+00 | 0.2955614E+01 | 0.6673058E+01 | 0.8610372E-02 | 0.3958205E+00 | -0.5691253E+00 | -0.1733048E+00 |
| 152 | 2.711916 | -1.583118 | -2.018839 | 0.1874611E+00 | 0.7213120E+00 | 0.1907201E+01 | 0.5865996E+01 | 0.4721398E-01 | 0.2965192E+00 | -0.4127104E+00 | -0.1161912E+00 |
| 153 | -1.488246 | 2.539265 | -1.706287 | 0.2134903E+00 | 0.8357251E+00 | 0.2542015E+01 | 0.6288010E+01 | 0.1692512E-01 | 0.3582478E+00 | -0.5075644E+00 | -0.1493166E+00 |
| 154 | 0.566406 | -3.859842 | -2.218110 | 0.2162592E+00 | 0.7966574E+00 | 0.2490993E+01 | 0.6739575E+01 | 0.1929383E-01 | 0.3564901E+00 | -0.5138158E+00 | -0.1573257E+00 |
| 155 | 0.027170 | 0.871794 | 3.304911 | 0.1307567E+00 | 0.5327449E+00 | 0.9121858E+00 | 0.4357128E+01 | 0.9445230E-02 | 0.1855090E+00 | -0.2378319E+00 | -0.5232283E-01 |
| 156 | 2.657373 | 1.854782 | 0.642327 | 0.1530267E+00 | 0.6421813E+00 | 0.1331466E+01 | 0.4697869E+01 | 0.1308924E-01 | 0.2327337E+00 | -0.3049221E+00 | -0.7218838E-01 |
| 157 | -1.347849 | 2.598454 | 1.800153 | 0.1312356E+00 | 0.4921891E+00 | 0.8543113E+00 | 0.4744972E+01 | 0.1147962E+00 | 0.1793409E+00 | -0.2356344E+00 | -0.5629357E-01 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 50 | -1.791125 | 0.519131 | -1.389060 | 0.7249776E-02 | 0.2712201E-01 | 0.7721628E-03 | 0.6899732E+00 | -0.1975589E+01 | 0.5300063E-02 | -0.3819623E-02 | 0.1480440E-02 |
| 53 | -1.714566 | 0.229870 | 1.547624 | 0.6046240E-02 | 0.2164841E-01 | 0.4973179E-03 | 0.6387477E+00 | -0.2059801E+01 | 0.4184231E-02 | -0.2956357E-02 | 0.1227873E-02 |
| 57 | -1.085854 | -1.669186 | -0.853050 | 0.6049786E-02 | 0.2340486E-01 | 0.6619251E-03 | 0.5913898E+00 | -0.3188377E+01 | 0.4477535E-02 | -0.3103855E-02 | 0.1373680E-02 |
| 58 | -1.212291 | 1.288346 | -2.556803 | 0.1463178E-01 | 0.6828358E-01 | 0.3608709E-02 | 0.8833349E+00 | -0.1413592E+01 | 0.1389382E-01 | -0.1071674E-01 | 0.3177079E-02 |
| 59 | -1.352918 | 1.108781 | -0.845791 | 0.7726326E-02 | 0.3068745E-01 | 0.9063859E-03 | 0.6780693E+00 | -0.1745949E+01 | 0.5981584E-02 | -0.4291306E-02 | 0.1690279E-02 |
| 60 | -1.305735 | 1.136257 | 0.884613 | 0.6698352E-02 | 0.2690096E-01 | 0.6567930E-03 | 0.6097129E+00 | -0.1620158E+01 | 0.5166904E-02 | -0.3608568E-02 | 0.1558336E-02 |
| 62 | -1.215086 | 1.207087 | 2.642029 | 0.1365293E-01 | 0.6308758E-01 | 0.3057051E-02 | 0.8518812E+00 | -0.1405087E+01 | 0.1275389E-01 | -0.9735892E-02 | 0.3018001E-02 |
| 63 | 0.640020 | 2.471252 | -0.716855 | 0.2549268E-01 | 0.1003344E+00 | 0.1380337E-01 | 0.1516547E+01 | -0.4228385E+01 | 0.2306247E-01 | -0.2104135E-01 | 0.2021122E-02 |
| 64 | -0.362758 | 2.627518 | 0.224903 | 0.2328420E-01 | 0.8975285E-01 | 0.1084064E-01 | 0.1457696E+01 | -0.3785744E+01 | 0.2041016E-01 | -0.1838210E-01 | 0.2028054E-02 |
| 66 | 1.440309 | -1.438559 | -2.886800 | 0.1185144E-01 | 0.5439786E-01 | 0.1843719E-02 | 0.7803984E+00 | -0.1201551E+01 | 0.1083514E-01 | -0.8070822E-02 | 0.2764322E-02 |
| 68 | 0.146178 | 0.923985 | 1.600936 | 0.7371051E-02 | 0.2997153E-01 | 0.6894751E-03 | 0.6418791E+00 | -0.1401424E+01 | 0.5796843E-02 | -0.4100803E-02 | 0.1696040E-02 |
| 69 | -1.253243 | -0.171136 | 1.640253 | 0.6075858E-02 | 0.2346341E-01 | 0.5747875E-03 | 0.5941573E+00 | -0.2042796E+01 | 0.4491442E-02 | -0.3117031E-02 | 0.1374411E-02 |
| 70 | -1.101241 | -0.150903 | -1.649479 | 0.6961146E-02 | 0.2806138E-01 | 0.7181619E-03 | 0.6232162E+00 | -0.1629247E+01 | 0.5405577E-02 | -0.3795808E-02 | 0.1609769E-02 |
| 73 | 1.454240 | 0.678508 | -0.882215 | 0.7513119E-02 | 0.3093936E-01 | 0.7051330E-03 | 0.6419023E+00 | -0.1363114E+01 | 0.5984062E-02 | -0.4233284E-02 | 0.1750778E-02 |
| 80 | 1.122101 | -0.361886 | 2.468386 | 0.1944537E-01 | 0.7211074E-01 | 0.6653360E-02 | 0.1343715E+01 | -0.3051883E+01 | 0.1605580E-01 | -0.1408392E-01 | 0.1971885E-02 |
| 82 | 0.517157 | 3.427259 | 0.054350 | 0.1219868E-01 | 0.5707163E-01 | 0.1989196E-02 | 0.7805143E+00 | -0.1186449E+01 | 0.1136799E-01 | -0.8468071E-02 | 0.2899918E-02 |
| 89 | 1.333636 | -1.714545 | -1.714012 | 0.2269972E-01 | 0.8625377E-01 | 0.9180076E-02 | 0.1453905E+01 | -0.2619661E+01 | 0.1960083E-01 | -0.1763821E-01 | 0.1962616E-02 |
| 90 | 0.560790 | -1.739346 | -0.010218 | 0.9605824E-02 | 0.4130408E-01 | 0.1302245E-02 | 0.7241769E+00 | -0.1396084E+01 | 0.8130323E-02 | -0.5934628E-02 | 0.2195696E-02 |
| 91 | 1.408871 | -0.408876 | -2.276290 | 0.2315108E-01 | 0.8808036E-01 | 0.1043391E-01 | 0.1471249E+01 | -0.3742009E+01 | 0.2007956E-01 | -0.1813904E-01 | 0.1940525E-02 |
| 94 | 1.530594 | -1.475309 | 1.670738 | 0.2315513E-01 | 0.9199311E-01 | 0.1227833E-01 | 0.1409083E+01 | -0.8991031E+01 | 0.2073326E-01 | -0.1846825E-01 | 0.2265014E-02 |
| 95 | 0.302445 | -1.092621 | 2.505605 | 0.2466543E-01 | 0.9481105E-01 | 0.1124063E-01 | 0.1519038E+01 | -0.2750192E+01 | 0.2180274E-01 | -0.1990272E-01 | 0.1900022E-02 |
| 96 | 2.098034 | -2.061964 | 0.080506 | 0.4424057E-02 | 0.1798376E-01 | 0.3713013E-03 | 0.4568430E+00 | -0.3275641E+01 | 0.3339617E-02 | -0.2183294E-02 | 0.1156324E-02 |
| 100 | 3.017346 | 0.526752 | -0.039501 | 0.1221457E-01 | 0.6006143E-01 | 0.2440355E-02 | 0.7432722E+00 | -0.1275186E+01 | 0.1187032E-01 | -0.8725285E-02 | 0.3145036E-02 |
| 105 | 1.428648 | 0.644813 | 0.850399 | 0.7521897E-02 | 0.3143695E-01 | 0.7490912E-03 | 0.6329729E+00 | -0.1391231E+01 | 0.6068606E-02 | -0.4277974E-02 | 0.1790632E-02 |
| 107 | 1.717792 | -0.710870 | 0.040078 | 0.6790537E-02 | 0.2760816E-01 | 0.5836486E-03 | 0.6077840E+00 | -0.1401442E+01 | 0.5300517E-02 | -0.3698996E-02 | 0.1601521E-02 |
| 111 | 0.164957 | 0.889055 | -1.603398 | 0.8318516E-02 | 0.3439114E-01 | 0.8835392E-03 | 0.6842944E+00 | -0.1374605E+01 | 0.6712427E-02 | -0.4827068E-02 | 0.1885359E-02 |
| 116 | 1.500255 | -1.424202 | 2.899272 | 0.1179231E-01 | 0.5363754E-01 | 0.1850920E-02 | 0.7848901E+00 | -0.1232916E+01 | 0.1069374E-01 | -0.7978093E-02 | 0.2715646E-02 |
| 117 | 0.344926 | -1.411620 | -2.344662 | 0.2499794E-01 | 0.9763299E-01 | 0.1327004E-01 | 0.1508425E+01 | -0.4541491E+01 | 0.2240850E-01 | -0.2040875E-01 | 0.1999748E-02 |
| 118 | 1.502833 | 1.339064 | 2.207985 | 0.5021436E-02 | 0.2065726E-01 | 0.5030050E-03 | 0.4911947E+00 | -0.3485043E+01 | 0.3865658E-02 | -0.2567000E-02 | 0.1298658E-02 |
| 119 | 1.519071 | 1.353493 | -2.225563 | 0.5617075E-02 | 0.2327806E-01 | 0.6422186E-03 | 0.5254323E+00 | -0.3488855E+01 | 0.4389304E-02 | -0.2959092E-02 | 0.1430211E-02 |
| 127 | 0.694901 | 2.457459 | 0.718470 | 0.2256510E-01 | 0.8764644E-01 | 0.1067630E-01 | 0.1416688E+01 | -0.4884837E+01 | 0.1978139E-01 | -0.1765117E-01 | 0.2130218E-02 |
| 133 | -1.072413 | -3.118563 | -0.000649 | 0.5782145E-02 | 0.2451065E-01 | 0.7704901E-03 | 0.5236889E+00 | -0.6221196E+01 | 0.4619939E-02 | -0.3112217E-02 | 0.1507722E-02 |
| 134 | 1.445628 | 1.659700 | -2.020214 | 0.5626081E-02 | 0.2329120E-01 | 0.6504908E-03 | 0.5265399E+00 | -0.4051224E+01 | 0.4392855E-02 | -0.2962912E-02 | 0.1429944E-02 |
CP type: (3,+3) Cage
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 61 | -0.882209 | 0.716491 | 1.627188 | 0.4291313E-02 | 0.1685182E-01 | 0.1213067E-03 | 0.4633935E+00 | -0.3945448E+00 | 0.3134013E-02 | -0.2055071E-02 | 0.1078943E-02 |
| 79 | -0.872969 | 0.704694 | -1.616418 | 0.4772871E-02 | 0.1905294E-01 | 0.1487428E-03 | 0.4893474E+00 | -0.2530324E+00 | 0.3563969E-02 | -0.2364704E-02 | 0.1199266E-02 |
| 83 | 0.460692 | 3.085684 | 0.050115 | 0.1171282E-01 | 0.5307349E-01 | 0.1070984E-02 | 0.7843402E+00 | -0.5828404E+00 | 0.1058007E-01 | -0.7891764E-02 | 0.2688304E-02 |
| 87 | 1.713636 | -1.659316 | 0.042901 | 0.3949052E-02 | 0.1651293E-01 | 0.1355503E-03 | 0.4117282E+00 | -0.2668769E+00 | 0.3035439E-02 | -0.1942647E-02 | 0.1092792E-02 |
| 106 | 1.824531 | 0.236085 | -0.000495 | 0.4120157E-02 | 0.1689274E-01 | 0.1041302E-03 | 0.4319525E+00 | -0.2866076E+00 | 0.3119493E-02 | -0.2015800E-02 | 0.1103693E-02 |
| 114 | 1.117280 | 1.085739 | 1.668788 | 0.4026105E-02 | 0.1668374E-01 | 0.1213775E-03 | 0.4208509E+00 | -0.3441949E+00 | 0.3073180E-02 | -0.1975425E-02 | 0.1097755E-02 |
| 115 | 1.320636 | -1.265742 | 2.606884 | 0.1119305E-01 | 0.4961096E-01 | 0.9462270E-03 | 0.7779458E+00 | -0.4485895E+00 | 0.9876604E-02 | -0.7350467E-02 | 0.2526137E-02 |
| 125 | 1.147305 | 1.078932 | -1.659006 | 0.4387346E-02 | 0.1829157E-01 | 0.1401911E-03 | 0.4429610E+00 | -0.3054509E+00 | 0.3386196E-02 | -0.2199501E-02 | 0.1186695E-02 |
| 142 | 1.306751 | -1.332510 | -2.628538 | 0.1151343E-01 | 0.5150442E-01 | 0.1076280E-02 | 0.7854345E+00 | -0.5806256E+00 | 0.1026963E-01 | -0.7663147E-02 | 0.2606479E-02 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 92 | 1 | 13 | 2.400663 | 2.401815 | 27 |
| 2 | 130 | 1 | 24 | 1.923895 | 1.924429 | 25 |
| 3 | 136 | 1 | 26 | 1.746475 | 1.746549 | 22 |
| 4 | 86 | 1 | 33 | 2.209635 | 2.210367 | 26 |
| 5 | 131 | 1 | 39 | 2.030043 | 2.030766 | 24 |
| 6 | 154 | 1 | 41 | 1.756847 | 1.756878 | 22 |
| 7 | 75 | 2 | 5 | 1.751278 | 1.751286 | 22 |
| 8 | 126 | 3 | 15 | 2.539946 | 2.540947 | 29 |
| 9 | 157 | 3 | 23 | 1.961959 | 1.963337 | 23 |
| 10 | 138 | 3 | 25 | 1.948632 | 1.949388 | 23 |
| 11 | 149 | 3 | 34 | 1.924651 | 1.925341 | 23 |
| 12 | 84 | 3 | 40 | 1.909954 | 1.910675 | 27 |
| 13 | 150 | 3 | 43 | 1.742653 | 1.742668 | 23 |
| 14 | 72 | 4 | 16 | 2.559854 | 2.560992 | 29 |
| 15 | 120 | 4 | 22 | 2.058280 | 2.058834 | 25 |
| 16 | 101 | 4 | 27 | 1.989393 | 1.990182 | 25 |
| 17 | 143 | 4 | 35 | 1.845948 | 1.846470 | 22 |
| 18 | 145 | 4 | 38 | 1.847406 | 1.847839 | 22 |
| 19 | 104 | 4 | 44 | 1.751024 | 1.751054 | 21 |
| 20 | 77 | 5 | 13 | 2.481597 | 2.482799 | 29 |
| 21 | 113 | 5 | 18 | 1.955804 | 1.956354 | 25 |
| 22 | 76 | 5 | 28 | 1.947069 | 1.948170 | 26 |
| 23 | 110 | 5 | 29 | 1.917231 | 1.917742 | 23 |
| 24 | 67 | 5 | 39 | 1.898519 | 1.899031 | 23 |
| 25 | 98 | 6 | 8 | 1.756295 | 1.756301 | 22 |
| 26 | 139 | 6 | 15 | 2.458894 | 2.460155 | 27 |
| 27 | 102 | 6 | 20 | 1.878386 | 1.878788 | 23 |
| 28 | 156 | 6 | 27 | 1.906641 | 1.907101 | 23 |
| 29 | 135 | 6 | 31 | 1.897898 | 1.898350 | 23 |
| 30 | 140 | 6 | 40 | 2.012176 | 2.012675 | 27 |
| 31 | 109 | 7 | 9 | 1.752067 | 1.752101 | 23 |
| 32 | 74 | 7 | 16 | 2.527538 | 2.528625 | 29 |
| 33 | 108 | 7 | 19 | 1.776244 | 1.776400 | 22 |
| 34 | 155 | 7 | 25 | 1.946427 | 1.946969 | 23 |
| 35 | 65 | 7 | 32 | 1.949720 | 1.950450 | 23 |
| 36 | 124 | 7 | 38 | 2.152912 | 2.153626 | 28 |
| 37 | 93 | 10 | 16 | 2.367831 | 2.369194 | 30 |
| 38 | 151 | 10 | 17 | 1.759084 | 1.759107 | 22 |
| 39 | 128 | 10 | 24 | 1.949632 | 1.950068 | 25 |
| 40 | 132 | 10 | 32 | 1.964368 | 1.964881 | 23 |
| 41 | 88 | 10 | 35 | 2.179935 | 2.180473 | 26 |
| 42 | 129 | 10 | 37 | 1.765455 | 1.765469 | 22 |
| 43 | 122 | 11 | 13 | 2.517591 | 2.518743 | 29 |
| 44 | 99 | 11 | 20 | 2.018050 | 2.018406 | 25 |
| 45 | 141 | 11 | 22 | 1.861111 | 1.861566 | 24 |
| 46 | 144 | 11 | 29 | 1.994730 | 1.995250 | 23 |
| 47 | 152 | 11 | 33 | 1.839222 | 1.839544 | 23 |
| 48 | 103 | 11 | 42 | 1.756538 | 1.756553 | 23 |
| 49 | 121 | 12 | 15 | 2.436524 | 2.437602 | 29 |
| 50 | 137 | 12 | 18 | 1.933960 | 1.934285 | 23 |
| 51 | 153 | 12 | 21 | 1.788097 | 1.788205 | 22 |
| 52 | 147 | 12 | 30 | 1.760426 | 1.760443 | 23 |
| 53 | 81 | 12 | 31 | 2.069420 | 2.069882 | 28 |
| 54 | 148 | 12 | 34 | 1.991329 | 1.991888 | 23 |
| 55 | 71 | 13 | 36 | 1.614023 | 1.614043 | 21 |
| 56 | 54 | 14 | 19 | 3.227134 | 3.252615 | 35 |
| 57 | 51 | 14 | 21 | 3.047047 | 3.061836 | 35 |
| 58 | 52 | 14 | 23 | 3.139175 | 3.205206 | 35 |
| 59 | 56 | 14 | 26 | 3.202211 | 3.241967 | 35 |
| 60 | 49 | 14 | 28 | 3.137026 | 3.219577 | 35 |
| 61 | 123 | 14 | 36 | 1.493448 | 1.493449 | 20 |
| 62 | 112 | 15 | 36 | 1.605047 | 1.605091 | 22 |
| 63 | 78 | 16 | 36 | 1.604553 | 1.604583 | 24 |
| 64 | 97 | 17 | 26 | 3.167553 | 3.198567 | 35 |
| 65 | 85 | 18 | 20 | 3.242566 | 3.246294 | 35 |
| 66 | 47 | 19 | 45 | 1.767209 | 1.774952 | 24 |
| 67 | 55 | 21 | 46 | 1.704392 | 1.709635 | 26 |
| 68 | 146 | 23 | 45 | 0.998427 | 0.998510 | 20 |
| 69 | 48 | 28 | 46 | 1.005737 | 1.005814 | 17 |
Timing
| Factor | |
|---|---|
| Cpu | 40668.40 |
| System | 441.42 |
| Elapsed | 42333.98 |
Report data
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