GENERAL INFO
| Title: | /Mo Mo07O24-0H-iso-0 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/115601 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | Mo7O24 |
| Calculation type: | Geometry optimization (Solvation) |
| Method(s): | DFT ( PBEc PBEx ) | PW92 == Not Default == |
| Core Treatment : | Frozen Orbital(s) |
| Symmetry : | C(2) |
| Temperature | 298.150000 K |
| Pressure | 1.000000 atm |
MOLECULAR INFO
| Charge: | -6 |
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
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -177.0614 | eV |
| Kinetic Energy | -113.8644 | eV |
| Coulomb (Steric+OrbInt) Energy | 272.7798 | eV |
| XC Energy | -200.3847 | eV |
| Solvation | -49.4160 | eV |
| Total Bonding Energy | -267.9468 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000026237 |
| Orthogonalized Fragments: | 0.00024016515554 |
| SCF: | 0.00010096515708 |
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 |
|---|---|---|---|
| -0.00000000 | -0.00000000 | -139.32080479 | 139.32080479 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 264.65508342 | 3.03304336 | 0.00000000 | 150.85490969 | -0.00000000 | -415.50999311 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 2.052894 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 46.781 | 38.047 | 138.390 | 223.219 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 69.195 | 70.972 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 125.313 | 131.274 | |
| G (kJ.mol-1 // kcal.mol-1) | -25832 // -6174 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Mo | -2.048691 | -1.737943 | 3.965289 |
| Mo | 2.168928 | -1.617610 | 3.998203 |
| Mo | 0.099476 | -3.516435 | 5.694292 |
| Mo | 0.000000 | 0.000000 | 6.243381 |
| Mo | -2.168928 | 1.617610 | 3.998203 |
| Mo | 2.048691 | 1.737943 | 3.965289 |
| Mo | -0.099476 | 3.516435 | 5.694292 |
| O | -1.792021 | -0.047909 | 5.581574 |
| O | 1.792021 | 0.047909 | 5.581574 |
| O | 0.049014 | -1.676412 | 4.544841 |
| O | 1.821569 | 0.044763 | 2.997832 |
| O | -1.779164 | -3.031507 | 5.500321 |
| O | -1.821569 | -0.044763 | 2.997832 |
| O | 0.152293 | -4.884762 | 4.578758 |
| O | -3.904883 | 1.468877 | 4.311233 |
| O | 1.850803 | 2.803204 | 2.574544 |
| O | -0.033241 | 1.406450 | 7.339863 |
| O | 1.779164 | 3.031507 | 5.500321 |
| O | 3.904883 | -1.468877 | 4.311233 |
| O | -1.850803 | -2.803204 | 2.574544 |
| O | -0.114327 | 4.248607 | 7.315205 |
| O | -0.049014 | 1.676412 | 4.544841 |
| O | -1.952707 | 2.915134 | 5.524599 |
| O | -0.152293 | 4.884762 | 4.578758 |
| O | -3.792605 | -1.721684 | 4.274343 |
| O | 2.055227 | -2.702442 | 2.612217 |
| O | 0.033241 | -1.406450 | 7.339863 |
| O | 1.952707 | -2.915134 | 5.524599 |
| O | 3.792605 | 1.721684 | 4.274343 |
| O | -2.055227 | 2.702442 | 2.612217 |
| O | 0.114327 | -4.248607 | 7.315205 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 31 |
| 3,+1 | 12 |
| 3,-1 | 42 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | -2.048691 | -1.737943 | 3.965289 | 0.1242819E+06 |
| 2 | 2.168928 | -1.617610 | 3.998203 | 0.1242819E+06 |
| 3 | 0.099476 | -3.516435 | 5.694292 | 0.1242821E+06 |
| 4 | 0.000000 | 0.000000 | 6.243381 | 0.1242824E+06 |
| 5 | -2.168928 | 1.617610 | 3.998203 | 0.1242819E+06 |
| 6 | 2.048691 | 1.737943 | 3.965289 | 0.1242819E+06 |
| 7 | -0.099476 | 3.516435 | 5.694292 | 0.1242821E+06 |
| 8 | -1.792021 | -0.047909 | 5.581574 | 0.3190902E+03 |
| 9 | 1.792021 | 0.047909 | 5.581574 | 0.3190902E+03 |
| 10 | 0.049014 | -1.676412 | 4.544841 | 0.3189762E+03 |
| 11 | 1.821569 | 0.044763 | 2.997832 | 0.3191100E+03 |
| 12 | -1.779164 | -3.031507 | 5.500321 | 0.3191154E+03 |
| 13 | -1.821569 | -0.044763 | 2.997832 | 0.3191100E+03 |
| 14 | 0.152293 | -4.884762 | 4.578758 | 0.3193587E+03 |
| 15 | -3.904883 | 1.468877 | 4.311233 | 0.3193898E+03 |
| 16 | 1.850803 | 2.803204 | 2.574544 | 0.3193916E+03 |
| 17 | -0.033241 | 1.406450 | 7.339863 | 0.3193416E+03 |
| 18 | 1.779164 | 3.031507 | 5.500321 | 0.3191154E+03 |
| 19 | 3.904883 | -1.468877 | 4.311233 | 0.3193898E+03 |
| 20 | -1.850803 | -2.803204 | 2.574544 | 0.3193916E+03 |
| 21 | -0.114327 | 4.248607 | 7.315205 | 0.3193343E+03 |
| 22 | -0.049014 | 1.676412 | 4.544841 | 0.3189762E+03 |
| 23 | -1.952707 | 2.915134 | 5.524599 | 0.3191117E+03 |
| 24 | -0.152293 | 4.884762 | 4.578758 | 0.3193587E+03 |
| 25 | -3.792605 | -1.721684 | 4.274343 | 0.3193878E+03 |
| 26 | 2.055227 | -2.702442 | 2.612217 | 0.3193912E+03 |
| 27 | 0.033241 | -1.406450 | 7.339863 | 0.3193416E+03 |
| 28 | 1.952707 | -2.915134 | 5.524599 | 0.3191117E+03 |
| 29 | 3.792605 | 1.721684 | 4.274343 | 0.3193878E+03 |
| 30 | -2.055227 | 2.702442 | 2.612217 | 0.3193912E+03 |
| 31 | 0.114327 | -4.248607 | 7.315205 | 0.3193343E+03 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 32 | -1.024249 | -0.961850 | 4.938725 | 0.2544275E-01 | 0.8990801E-01 | 0.1037076E-01 | 0.1686896E+01 | -0.2776015E+01 | 0.2130406E-01 | -0.2013112E-01 | 0.1172940E-02 |
| 35 | -1.850089 | -0.112916 | 4.302481 | 0.3001490E-01 | 0.1112183E+00 | 0.1845074E-01 | 0.1796104E+01 | -0.8978859E+01 | 0.2685971E-01 | -0.2591484E-01 | 0.9448723E-03 |
| 41 | -1.071696 | 0.905419 | 4.946410 | 0.2572660E-01 | 0.9127902E-01 | 0.1077840E-01 | 0.1692569E+01 | -0.2857657E+01 | 0.2165050E-01 | -0.2048125E-01 | 0.1169252E-02 |
| 44 | -0.054711 | 1.994346 | 6.037691 | 0.1880301E-01 | 0.6264954E-01 | 0.3972429E-02 | 0.1462427E+01 | -0.1811178E+01 | 0.1425910E-01 | -0.1285583E-01 | 0.1403279E-02 |
| 45 | 1.024249 | 0.961850 | 4.938725 | 0.2544275E-01 | 0.8990801E-01 | 0.1037076E-01 | 0.1686896E+01 | -0.2776015E+01 | 0.2130406E-01 | -0.2013112E-01 | 0.1172940E-02 |
| 46 | 1.071696 | -0.905419 | 4.946410 | 0.2572660E-01 | 0.9127902E-01 | 0.1077840E-01 | 0.1692569E+01 | -0.2857657E+01 | 0.2165050E-01 | -0.2048125E-01 | 0.1169252E-02 |
| 48 | 0.953598 | 2.313812 | 4.889223 | 0.3758996E-01 | 0.1443019E+00 | 0.2821465E-01 | 0.2014317E+01 | -0.3664227E+01 | 0.3616154E-01 | -0.3624762E-01 | -0.8608052E-04 |
| 54 | -1.086945 | 2.250323 | 4.901960 | 0.3724907E-01 | 0.1426275E+00 | 0.2756471E-01 | 0.2007254E+01 | -0.3665799E+01 | 0.3569998E-01 | -0.3574309E-01 | -0.4310781E-04 |
| 68 | 0.054711 | -1.994346 | 6.037691 | 0.1880301E-01 | 0.6264953E-01 | 0.3972429E-02 | 0.1462427E+01 | -0.1811178E+01 | 0.1425910E-01 | -0.1285583E-01 | 0.1403279E-02 |
| 76 | 1.086945 | -2.250323 | 4.901960 | 0.3724907E-01 | 0.1426275E+00 | 0.2756471E-01 | 0.2007254E+01 | -0.3665799E+01 | 0.3569998E-01 | -0.3574309E-01 | -0.4310781E-04 |
| 80 | 1.850089 | 0.112916 | 4.302481 | 0.3001490E-01 | 0.1112183E+00 | 0.1845074E-01 | 0.1796104E+01 | -0.8978859E+01 | 0.2685971E-01 | -0.2591484E-01 | 0.9448723E-03 |
| 85 | -0.953598 | -2.313812 | 4.889223 | 0.3758996E-01 | 0.1443019E+00 | 0.2821465E-01 | 0.2014317E+01 | -0.3664227E+01 | 0.3616154E-01 | -0.3624762E-01 | -0.8608052E-04 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 33 | -1.889860 | -2.411234 | 4.773566 | 0.1117175E+00 | 0.4348567E+00 | 0.6162709E+00 | 0.4106475E+01 | 0.6136764E-01 | 0.1468815E+00 | -0.1850487E+00 | -0.3816729E-01 |
| 34 | -1.941066 | -2.306863 | 3.220354 | 0.2106827E+00 | 0.8552894E+00 | 0.2535829E+01 | 0.6010095E+01 | 0.1718926E-01 | 0.3567304E+00 | -0.4996384E+00 | -0.1429080E+00 |
| 36 | -1.896834 | -0.866560 | 4.799318 | 0.5147675E-01 | 0.2029772E+00 | 0.1066329E+00 | 0.2418342E+01 | 0.1782387E-01 | 0.5428238E-01 | -0.5782046E-01 | -0.3538079E-02 |
| 37 | -1.926140 | -0.835386 | 3.472511 | 0.1285045E+00 | 0.5158263E+00 | 0.8674678E+00 | 0.4371595E+01 | 0.5356306E-01 | 0.1799287E+00 | -0.2309009E+00 | -0.5097214E-01 |
| 38 | 1.063842 | -1.646689 | 4.281917 | 0.7535497E-01 | 0.2995600E+00 | 0.2576418E+00 | 0.3092544E+01 | 0.1676488E-01 | 0.8852676E-01 | -0.1021635E+00 | -0.1363677E-01 |
| 39 | 0.025098 | -0.863255 | 5.370530 | 0.4819151E-01 | 0.1915949E+00 | 0.9106010E-01 | 0.2295339E+01 | 0.3844807E-01 | 0.5025645E-01 | -0.5261417E-01 | -0.2357726E-02 |
| 40 | -0.943395 | -0.024885 | 5.876458 | 0.1493159E+00 | 0.5568247E+00 | 0.1119601E+01 | 0.5200814E+01 | 0.5039883E-02 | 0.2134684E+00 | -0.2877306E+00 | -0.7426220E-01 |
| 42 | -0.025098 | 0.863255 | 5.370530 | 0.4819151E-01 | 0.1915949E+00 | 0.9106010E-01 | 0.2295339E+01 | 0.3844807E-01 | 0.5025645E-01 | -0.5261417E-01 | -0.2357726E-02 |
| 43 | -0.017746 | 0.752691 | 6.826443 | 0.2012670E+00 | 0.7999974E+00 | 0.2259958E+01 | 0.5954046E+01 | 0.2831882E-01 | 0.3318005E+00 | -0.4636016E+00 | -0.1318011E+00 |
| 47 | 0.954813 | 1.704781 | 4.267189 | 0.7779070E-01 | 0.3087373E+00 | 0.2764495E+00 | 0.3164003E+01 | 0.1867911E-01 | 0.9215811E-01 | -0.1071319E+00 | -0.1497379E-01 |
| 49 | 1.941066 | 2.306863 | 3.220354 | 0.2106827E+00 | 0.8552894E+00 | 0.2535829E+01 | 0.6010095E+01 | 0.1718926E-01 | 0.3567304E+00 | -0.4996384E+00 | -0.1429080E+00 |
| 50 | 1.889860 | 2.411234 | 4.773566 | 0.1117175E+00 | 0.4348567E+00 | 0.6162709E+00 | 0.4106475E+01 | 0.6136764E-01 | 0.1468815E+00 | -0.1850487E+00 | -0.3816729E-01 |
| 51 | 1.896834 | 0.866560 | 4.799318 | 0.5147675E-01 | 0.2029772E+00 | 0.1066329E+00 | 0.2418342E+01 | 0.1782387E-01 | 0.5428238E-01 | -0.5782046E-01 | -0.3538079E-02 |
| 52 | -1.063842 | 1.646689 | 4.281917 | 0.7535497E-01 | 0.2995600E+00 | 0.2576418E+00 | 0.3092544E+01 | 0.1676488E-01 | 0.8852676E-01 | -0.1021635E+00 | -0.1363677E-01 |
| 53 | -1.954634 | 0.759145 | 4.816155 | 0.5437310E-01 | 0.2154036E+00 | 0.1218203E+00 | 0.2496513E+01 | 0.1465524E-01 | 0.5830717E-01 | -0.6276345E-01 | -0.4456274E-02 |
| 55 | -1.071503 | 3.183500 | 5.594914 | 0.1329209E+00 | 0.5048852E+00 | 0.8881421E+00 | 0.4725080E+01 | 0.5960118E-01 | 0.1835485E+00 | -0.2408757E+00 | -0.5732718E-01 |
| 56 | 0.065407 | -2.413653 | 6.513519 | 0.2349148E-01 | 0.9187943E-01 | 0.1666583E-01 | 0.1445148E+01 | 0.2238676E+00 | 0.2084571E-01 | -0.1872156E-01 | 0.2124147E-02 |
| 57 | 0.127787 | -4.249337 | 5.096652 | 0.2096816E+00 | 0.8118989E+00 | 0.2411214E+01 | 0.6281234E+01 | 0.9654811E-02 | 0.3478051E+00 | -0.4926355E+00 | -0.1448304E+00 |
| 58 | 0.107229 | -3.902321 | 6.564303 | 0.2029628E+00 | 0.8126256E+00 | 0.2305002E+01 | 0.5944060E+01 | 0.3062679E-01 | 0.3366999E+00 | -0.4702435E+00 | -0.1335435E+00 |
| 59 | 1.071503 | -3.183500 | 5.594914 | 0.1329209E+00 | 0.5048852E+00 | 0.8881421E+00 | 0.4725080E+01 | 0.5960118E-01 | 0.1835485E+00 | -0.2408757E+00 | -0.5732718E-01 |
| 60 | 0.887245 | 3.244202 | 5.582148 | 0.1350676E+00 | 0.5104558E+00 | 0.9165171E+00 | 0.4799989E+01 | 0.6222085E-01 | 0.1871669E+00 | -0.2467198E+00 | -0.5955293E-01 |
| 61 | 2.106022 | -2.196816 | 3.255693 | 0.2102294E+00 | 0.8574207E+00 | 0.2533511E+01 | 0.5973673E+01 | 0.1749945E-01 | 0.3563181E+00 | -0.4982810E+00 | -0.1419629E+00 |
| 62 | 2.037493 | -2.294571 | 4.802144 | 0.1145169E+00 | 0.4467114E+00 | 0.6526512E+00 | 0.4165836E+01 | 0.6193088E-01 | 0.1519905E+00 | -0.1923031E+00 | -0.4031265E-01 |
| 63 | -0.073285 | 2.553114 | 5.105870 | 0.8209965E-01 | 0.3039970E+00 | 0.2862793E+00 | 0.3515438E+01 | 0.3975417E-01 | 0.9519460E-01 | -0.1143900E+00 | -0.1919536E-01 |
| 64 | 1.926140 | 0.835386 | 3.472511 | 0.1285045E+00 | 0.5158263E+00 | 0.8674678E+00 | 0.4371595E+01 | 0.5356306E-01 | 0.1799287E+00 | -0.2309009E+00 | -0.5097214E-01 |
| 65 | -0.065407 | 2.413653 | 6.513519 | 0.2349148E-01 | 0.9187943E-01 | 0.1666583E-01 | 0.1445148E+01 | 0.2238676E+00 | 0.2084571E-01 | -0.1872156E-01 | 0.2124147E-02 |
| 66 | -0.887245 | -3.244202 | 5.582148 | 0.1350676E+00 | 0.5104558E+00 | 0.9165171E+00 | 0.4799989E+01 | 0.6222085E-01 | 0.1871669E+00 | -0.2467198E+00 | -0.5955293E-01 |
| 67 | 0.073285 | -2.553114 | 5.105870 | 0.8209965E-01 | 0.3039970E+00 | 0.2862793E+00 | 0.3515438E+01 | 0.3975417E-01 | 0.9519460E-01 | -0.1143900E+00 | -0.1919536E-01 |
| 69 | 0.017746 | -0.752691 | 6.826443 | 0.2012670E+00 | 0.7999974E+00 | 0.2259958E+01 | 0.5954046E+01 | 0.2831882E-01 | 0.3318005E+00 | -0.4636016E+00 | -0.1318011E+00 |
| 70 | 3.096826 | -1.538293 | 4.172137 | 0.2068632E+00 | 0.8503920E+00 | 0.2467245E+01 | 0.5863174E+01 | 0.2682994E-01 | 0.3494818E+00 | -0.4863657E+00 | -0.1368838E+00 |
| 71 | 1.982253 | -0.731876 | 3.487855 | 0.1260678E+00 | 0.5059463E+00 | 0.8320186E+00 | 0.4317002E+01 | 0.5160165E-01 | 0.1753315E+00 | -0.2241765E+00 | -0.4884494E-01 |
| 72 | -3.096826 | 1.538293 | 4.172137 | 0.2068632E+00 | 0.8503920E+00 | 0.2467245E+01 | 0.5863174E+01 | 0.2682994E-01 | 0.3494818E+00 | -0.4863657E+00 | -0.1368838E+00 |
| 73 | 0.943395 | 0.024885 | 5.876458 | 0.1493159E+00 | 0.5568247E+00 | 0.1119601E+01 | 0.5200814E+01 | 0.5039883E-02 | 0.2134684E+00 | -0.2877306E+00 | -0.7426220E-01 |
| 74 | -0.107229 | 3.902321 | 6.564303 | 0.2029628E+00 | 0.8126256E+00 | 0.2305002E+01 | 0.5944060E+01 | 0.3062679E-01 | 0.3366999E+00 | -0.4702435E+00 | -0.1335435E+00 |
| 75 | -0.127787 | 4.249337 | 5.096652 | 0.2096816E+00 | 0.8118989E+00 | 0.2411214E+01 | 0.6281234E+01 | 0.9654811E-02 | 0.3478051E+00 | -0.4926355E+00 | -0.1448304E+00 |
| 77 | -1.982253 | 0.731876 | 3.487855 | 0.1260678E+00 | 0.5059463E+00 | 0.8320186E+00 | 0.4317002E+01 | 0.5160165E-01 | 0.1753315E+00 | -0.2241765E+00 | -0.4884494E-01 |
| 78 | -2.037493 | 2.294571 | 4.802144 | 0.1145169E+00 | 0.4467114E+00 | 0.6526512E+00 | 0.4165836E+01 | 0.6193088E-01 | 0.1519905E+00 | -0.1923031E+00 | -0.4031265E-01 |
| 79 | 1.954634 | -0.759145 | 4.816155 | 0.5437310E-01 | 0.2154036E+00 | 0.1218203E+00 | 0.2496513E+01 | 0.1465524E-01 | 0.5830717E-01 | -0.6276345E-01 | -0.4456274E-02 |
| 81 | -0.954813 | -1.704781 | 4.267189 | 0.7779070E-01 | 0.3087373E+00 | 0.2764495E+00 | 0.3164003E+01 | 0.1867911E-01 | 0.9215811E-01 | -0.1071319E+00 | -0.1497379E-01 |
| 82 | -2.106022 | 2.196816 | 3.255693 | 0.2102294E+00 | 0.8574207E+00 | 0.2533511E+01 | 0.5973673E+01 | 0.1749945E-01 | 0.3563181E+00 | -0.4982810E+00 | -0.1419629E+00 |
| 83 | 2.980804 | 1.729888 | 4.137589 | 0.2064238E+00 | 0.8475374E+00 | 0.2453376E+01 | 0.5862111E+01 | 0.2683040E-01 | 0.3482712E+00 | -0.4846580E+00 | -0.1363868E+00 |
| 84 | -2.980804 | -1.729888 | 4.137589 | 0.2064238E+00 | 0.8475374E+00 | 0.2453376E+01 | 0.5862111E+01 | 0.2683040E-01 | 0.3482712E+00 | -0.4846580E+00 | -0.1363868E+00 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 36 | 1 | 8 | 2.352545 | 2.353113 | 27 |
| 2 | 81 | 1 | 10 | 2.177162 | 2.177533 | 27 |
| 3 | 33 | 1 | 12 | 2.025408 | 2.025883 | 24 |
| 4 | 37 | 1 | 13 | 1.963266 | 1.963844 | 23 |
| 5 | 34 | 1 | 20 | 1.762984 | 1.763007 | 21 |
| 6 | 84 | 1 | 25 | 1.771163 | 1.771316 | 21 |
| 7 | 79 | 2 | 9 | 2.328750 | 2.329317 | 27 |
| 8 | 38 | 2 | 10 | 2.190047 | 2.190450 | 27 |
| 9 | 71 | 2 | 11 | 1.971011 | 1.971582 | 23 |
| 10 | 70 | 2 | 19 | 1.770211 | 1.770339 | 21 |
| 11 | 61 | 2 | 26 | 1.763731 | 1.763750 | 21 |
| 12 | 62 | 2 | 28 | 2.014995 | 2.015476 | 25 |
| 13 | 67 | 3 | 10 | 2.170131 | 2.170430 | 25 |
| 14 | 66 | 3 | 12 | 1.949890 | 1.950453 | 25 |
| 15 | 57 | 3 | 14 | 1.766218 | 1.766255 | 24 |
| 16 | 56 | 3 | 27 | 2.676626 | 2.677822 | 29 |
| 17 | 59 | 3 | 28 | 1.955716 | 1.956270 | 23 |
| 18 | 58 | 3 | 31 | 1.778667 | 1.778782 | 21 |
| 19 | 40 | 4 | 8 | 1.910922 | 1.911337 | 23 |
| 20 | 73 | 4 | 9 | 1.910922 | 1.911336 | 23 |
| 21 | 39 | 4 | 10 | 2.387006 | 2.387111 | 27 |
| 22 | 43 | 4 | 17 | 1.783670 | 1.783712 | 23 |
| 23 | 42 | 4 | 22 | 2.387006 | 2.387113 | 27 |
| 24 | 69 | 4 | 27 | 1.783670 | 1.783685 | 20 |
| 25 | 53 | 5 | 8 | 2.328750 | 2.329319 | 27 |
| 26 | 77 | 5 | 13 | 1.971011 | 1.971580 | 23 |
| 27 | 72 | 5 | 15 | 1.770211 | 1.770360 | 22 |
| 28 | 52 | 5 | 22 | 2.190047 | 2.190451 | 26 |
| 29 | 78 | 5 | 23 | 2.014995 | 2.015476 | 24 |
| 30 | 82 | 5 | 30 | 1.763731 | 1.763750 | 21 |
| 31 | 51 | 6 | 9 | 2.352545 | 2.353111 | 27 |
| 32 | 64 | 6 | 11 | 1.963266 | 1.963843 | 23 |
| 33 | 49 | 6 | 16 | 1.762984 | 1.763008 | 22 |
| 34 | 50 | 6 | 18 | 2.025408 | 2.025884 | 25 |
| 35 | 47 | 6 | 22 | 2.177162 | 2.177511 | 25 |
| 36 | 83 | 6 | 29 | 1.771163 | 1.771316 | 21 |
| 37 | 65 | 7 | 17 | 2.676626 | 2.677822 | 29 |
| 38 | 60 | 7 | 18 | 1.949890 | 1.950443 | 23 |
| 39 | 74 | 7 | 21 | 1.778667 | 1.778784 | 21 |
| 40 | 63 | 7 | 22 | 2.170131 | 2.170429 | 25 |
| 41 | 55 | 7 | 23 | 1.955716 | 1.956269 | 23 |
| 42 | 75 | 7 | 24 | 1.766218 | 1.766252 | 23 |
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