GENERAL INFO
| Title: | /AsTaW As01Ta05W01O22-1H-iso-150 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114874 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | HAsO22Ta5W |
| 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 | 0.75 |
| System | 0.06 |
| Elapsed | 1.78 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 1.48 |
| System | 0.07 |
| Elapsed | 2.21 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 2.69 |
| System | 0.07 |
| Elapsed | 3.73 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 2.69 |
| System | 0.07 |
| Elapsed | 3.82 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.99 |
| System | 0.06 |
| Elapsed | 1.63 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -185.9936 | eV |
| Kinetic Energy | 241.1062 | eV |
| Coulomb (Steric+OrbInt) Energy | -9.1316 | eV |
| XC Energy | -251.4206 | eV |
| Solvation | -63.8057 | eV |
| Total Bonding Energy | -269.2453 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000032769 |
| Orthogonalized Fragments: | 0.00024810394660 |
| SCF: | 0.00021369857053 |
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 |
|---|---|---|---|
| -13.16561602 | -8.01438362 | 0.23571618 | 15.41490681 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -14.55487447 | -95.46085685 | -105.43965549 | 16.71862791 | 115.57732591 | -2.16375344 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 2.129196 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 47.823 | 39.785 | 138.886 | 226.494 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 69.898 | 71.675 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 116.122 | 122.084 | |
| G (kJ.mol-1 // kcal.mol-1) | -25958.4 // -6204.2 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Ta | -0.266966 | -2.053820 | 2.719549 |
| Ta | 0.103225 | 2.769234 | -2.460915 |
| Ta | 2.706035 | 2.591193 | -0.034670 |
| Ta | -2.674045 | 0.219142 | -2.157307 |
| Ta | 2.692204 | -0.147536 | 2.579289 |
| O | 1.309653 | -1.164890 | 3.539837 |
| O | 0.861278 | 2.009882 | -3.916696 |
| O | -2.693554 | 0.076173 | -3.950773 |
| O | 4.114226 | 1.953207 | -0.971665 |
| O | -3.255027 | -1.698141 | -1.593605 |
| O | -1.021320 | -3.734484 | -1.312307 |
| O | 0.783256 | -0.968695 | 1.058219 |
| O | -0.976310 | -0.833943 | -1.141894 |
| O | 1.202339 | 0.929170 | -1.042806 |
| O | -0.952238 | 1.190100 | 0.838497 |
| O | -3.470865 | -4.009720 | -0.015002 |
| O | -4.233106 | 0.984057 | -1.649922 |
| O | 2.297279 | 1.444868 | 1.514582 |
| O | 1.443905 | 3.533775 | -1.250388 |
| O | -0.682118 | 4.285489 | -3.080678 |
| O | -1.468762 | 1.771548 | -1.774892 |
| O | -1.485233 | -1.636160 | 3.990147 |
| O | 3.644421 | 0.532627 | 3.970699 |
| O | -1.674353 | -2.194775 | 1.194769 |
| O | 3.352767 | 4.054372 | 0.830692 |
| O | 0.150895 | -3.795902 | 2.917458 |
| O | 3.833409 | -1.267329 | 1.726532 |
| W | -2.253526 | -2.808000 | -0.455114 |
| As | 0.081901 | 0.067349 | -0.106349 |
| H | -1.360573 | 1.713912 | 0.090811 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 30 |
| 3,+1 | 9 |
| 3,-1 | 38 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | -0.266966 | -2.053820 | 2.719549 | 0.3882648E+07 |
| 2 | 0.103225 | 2.769234 | -2.460915 | 0.3882648E+07 |
| 3 | 2.706035 | 2.591193 | -0.034670 | 0.3882648E+07 |
| 4 | -2.674045 | 0.219142 | -2.157307 | 0.3882648E+07 |
| 5 | 2.692204 | -0.147536 | 2.579289 | 0.3882649E+07 |
| 6 | 1.309653 | -1.164890 | 3.539837 | 0.3188077E+03 |
| 7 | 0.861278 | 2.009882 | -3.916696 | 0.3190712E+03 |
| 8 | -2.693554 | 0.076173 | -3.950773 | 0.3191036E+03 |
| 9 | 4.114226 | 1.953207 | -0.971665 | 0.3190701E+03 |
| 10 | -3.255027 | -1.698141 | -1.593605 | 0.3188927E+03 |
| 11 | -1.021320 | -3.734484 | -1.312307 | 0.3192122E+03 |
| 12 | 0.783256 | -0.968695 | 1.058219 | 0.3190275E+03 |
| 13 | -0.976310 | -0.833943 | -1.141894 | 0.3190463E+03 |
| 14 | 1.202339 | 0.929170 | -1.042806 | 0.3191667E+03 |
| 15 | -0.952238 | 1.190100 | 0.838497 | 0.3189611E+03 |
| 16 | -3.470865 | -4.009720 | -0.015002 | 0.3191938E+03 |
| 17 | -4.233106 | 0.984057 | -1.649922 | 0.3190778E+03 |
| 18 | 2.297279 | 1.444868 | 1.514582 | 0.3187500E+03 |
| 19 | 1.443905 | 3.533775 | -1.250388 | 0.3188026E+03 |
| 20 | -0.682118 | 4.285489 | -3.080678 | 0.3190467E+03 |
| 21 | -1.468762 | 1.771548 | -1.774892 | 0.3187495E+03 |
| 22 | -1.485233 | -1.636160 | 3.990147 | 0.3190755E+03 |
| 23 | 3.644421 | 0.532627 | 3.970699 | 0.3190420E+03 |
| 24 | -1.674353 | -2.194775 | 1.194769 | 0.3188192E+03 |
| 25 | 3.352767 | 4.054372 | 0.830692 | 0.3190406E+03 |
| 26 | 0.150895 | -3.795902 | 2.917458 | 0.3190908E+03 |
| 27 | 3.833409 | -1.267329 | 1.726532 | 0.3190605E+03 |
| 28 | -2.253526 | -2.808000 | -0.455114 | 0.4361417E+07 |
| 29 | 0.081901 | 0.067349 | -0.106349 | 0.4276105E+05 |
| 30 | -1.360573 | 1.713912 | 0.090811 | 0.4421396E+00 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 31 | -0.830116 | 0.780005 | -1.011617 | 0.1910690E-01 | 0.6359746E-01 | 0.4986536E-02 | 0.1479643E+01 | -0.3975978E+01 | 0.1452047E-01 | -0.1314158E-01 | 0.1378890E-02 |
| 34 | -0.775753 | -1.248064 | 0.462125 | 0.1208070E-01 | 0.4706736E-01 | 0.1972542E-02 | 0.9312082E+00 | -0.1591097E+01 | 0.9670790E-02 | -0.7574740E-02 | 0.2096050E-02 |
| 42 | -2.152008 | -1.065342 | -1.413706 | 0.3203753E-01 | 0.1296973E+00 | 0.2408516E-01 | 0.1717041E+01 | -0.6212771E+01 | 0.3089519E-01 | -0.2936606E-01 | 0.1529127E-02 |
| 43 | -2.044315 | -1.436900 | -1.179936 | 0.3190687E-01 | 0.1268236E+00 | 0.2266459E-01 | 0.1744028E+01 | -0.5210763E+01 | 0.3035326E-01 | -0.2900062E-01 | 0.1352639E-02 |
| 44 | 1.308876 | 0.617554 | 0.762163 | 0.1256971E-01 | 0.4377188E-01 | 0.2178688E-02 | 0.1069777E+01 | -0.2382260E+01 | 0.9246404E-02 | -0.7549837E-02 | 0.1696567E-02 |
| 45 | -0.793320 | 0.988355 | -0.823124 | 0.1914381E-01 | 0.6355234E-01 | 0.4858624E-02 | 0.1485465E+01 | -0.4037962E+01 | 0.1452559E-01 | -0.1316309E-01 | 0.1362497E-02 |
| 46 | -0.280809 | 1.201452 | -1.207155 | 0.1742693E-01 | 0.5745913E-01 | 0.4314900E-02 | 0.1404825E+01 | -0.3492983E+01 | 0.1293986E-01 | -0.1151493E-01 | 0.1424926E-02 |
| 54 | 1.030703 | 2.189919 | -1.382048 | 0.2416241E-01 | 0.8789667E-01 | 0.9613260E-02 | 0.1583220E+01 | -0.2608406E+01 | 0.2044777E-01 | -0.1892137E-01 | 0.1526400E-02 |
| 59 | 1.437377 | -0.779191 | 2.167032 | 0.2528792E-01 | 0.9766739E-01 | 0.1032486E-01 | 0.1537159E+01 | -0.1976272E+01 | 0.2253333E-01 | -0.2064981E-01 | 0.1883521E-02 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 32 | -2.962531 | -0.791813 | -1.852923 | 0.9814936E-01 | 0.4097200E+00 | 0.5171573E+00 | 0.3512409E+01 | 0.3425167E-01 | 0.1282493E+00 | -0.1540687E+00 | -0.2581935E-01 |
| 33 | -2.910216 | -3.456790 | -0.218195 | 0.2257710E+00 | 0.8378275E+00 | 0.2741544E+01 | 0.6885026E+01 | 0.1302536E-01 | 0.3799906E+00 | -0.5505243E+00 | -0.1705337E+00 |
| 35 | -2.777602 | -2.206577 | -1.063728 | 0.1686261E+00 | 0.6358587E+00 | 0.1482097E+01 | 0.5577768E+01 | 0.5182831E-01 | 0.2537545E+00 | -0.3485443E+00 | -0.9478979E-01 |
| 36 | -1.591880 | -1.777970 | -0.782696 | 0.4141372E-01 | 0.1619272E+00 | 0.6157937E-01 | 0.2109602E+01 | 0.8669719E-01 | 0.4122127E-01 | -0.4196075E-01 | -0.7394798E-03 |
| 37 | -2.686581 | 0.142995 | -3.122941 | 0.2079983E+00 | 0.7605492E+00 | 0.2281061E+01 | 0.6615849E+01 | 0.1367729E-01 | 0.3364115E+00 | -0.4826856E+00 | -0.1462742E+00 |
| 38 | -1.781274 | -0.303615 | -1.618392 | 0.6654278E-01 | 0.2815593E+00 | 0.2143265E+00 | 0.2674309E+01 | 0.1041765E+00 | 0.7830058E-01 | -0.8621132E-01 | -0.7910746E-02 |
| 39 | -2.028424 | 1.034822 | -1.958769 | 0.1190976E+00 | 0.5013972E+00 | 0.7886077E+00 | 0.3962200E+01 | 0.3933662E-02 | 0.1663427E+00 | -0.2073361E+00 | -0.4099341E-01 |
| 40 | -1.932526 | -2.482188 | 0.425239 | 0.1755257E+00 | 0.7067166E+00 | 0.1715982E+01 | 0.5365405E+01 | 0.4932056E-02 | 0.2757786E+00 | -0.3748781E+00 | -0.9909947E-01 |
| 41 | 0.573172 | -1.578150 | 3.138346 | 0.1260236E+00 | 0.5093745E+00 | 0.8595237E+00 | 0.4285443E+01 | 0.3146238E-01 | 0.1758497E+00 | -0.2243558E+00 | -0.4850610E-01 |
| 47 | -0.725684 | 2.232247 | -2.102737 | 0.1240842E+00 | 0.5273657E+00 | 0.8615693E+00 | 0.4033623E+01 | 0.8785370E-02 | 0.1765274E+00 | -0.2212133E+00 | -0.4468595E-01 |
| 48 | -1.001018 | -2.130846 | 1.909000 | 0.9464813E-01 | 0.4253425E+00 | 0.5191628E+00 | 0.3184646E+01 | 0.1206206E-01 | 0.1273306E+00 | -0.1483256E+00 | -0.2099500E-01 |
| 49 | -0.922017 | -1.829074 | 3.402739 | 0.2028437E+00 | 0.7513558E+00 | 0.2184963E+01 | 0.6422487E+01 | 0.1757607E-01 | 0.3262915E+00 | -0.4647441E+00 | -0.1384526E+00 |
| 50 | -0.432275 | -0.363905 | -0.603287 | 0.1727121E+00 | 0.4215606E+00 | 0.1033530E+01 | 0.8755704E+01 | 0.2542145E-01 | 0.2240542E+00 | -0.3427184E+00 | -0.1186641E+00 |
| 51 | -0.417352 | 0.610281 | 0.336962 | 0.1525235E+00 | 0.3248876E+00 | 0.7055952E+00 | 0.9235091E+01 | 0.6810372E-01 | 0.1791632E+00 | -0.2771045E+00 | -0.9794131E-01 |
| 52 | 0.250311 | -1.479331 | 1.840399 | 0.6432725E-01 | 0.2787989E+00 | 0.2047730E+00 | 0.2552586E+01 | 0.8337297E-01 | 0.7611891E-01 | -0.8253809E-01 | -0.6419185E-02 |
| 53 | -0.317567 | 3.583158 | -2.794611 | 0.1983321E+00 | 0.7467673E+00 | 0.2104804E+01 | 0.6224193E+01 | 0.1485570E-01 | 0.3181289E+00 | -0.4495659E+00 | -0.1314370E+00 |
| 55 | -0.042728 | -2.991502 | 2.828145 | 0.2064296E+00 | 0.7536630E+00 | 0.2242822E+01 | 0.6592587E+01 | 0.1354029E-01 | 0.3326351E+00 | -0.4768544E+00 | -0.1442193E+00 |
| 56 | 0.637032 | 1.814767 | -1.716355 | 0.3117302E-01 | 0.1234985E+00 | 0.3441966E-01 | 0.1722858E+01 | 0.9959006E-01 | 0.2944852E-01 | -0.2802241E-01 | 0.1426110E-02 |
| 57 | 0.510675 | 2.362166 | -3.244485 | 0.2030903E+00 | 0.7464693E+00 | 0.2176453E+01 | 0.6477634E+01 | 0.9419982E-02 | 0.3258847E+00 | -0.4651520E+00 | -0.1392674E+00 |
| 58 | 0.819029 | 3.161554 | -1.816329 | 0.1340555E+00 | 0.5418976E+00 | 0.9740642E+00 | 0.4465158E+01 | 0.3869259E-01 | 0.1911354E+00 | -0.2467963E+00 | -0.5566097E-01 |
| 60 | 0.414960 | -0.433432 | 0.458219 | 0.1812914E+00 | 0.4680013E+00 | 0.1212357E+01 | 0.8550568E+01 | 0.2062669E-01 | 0.2447368E+00 | -0.3724732E+00 | -0.1277364E+00 |
| 61 | 1.703254 | -0.547717 | 1.789464 | 0.2980549E-01 | 0.1233864E+00 | 0.3264508E-01 | 0.1600195E+01 | 0.1665868E+00 | 0.2879116E-01 | -0.2673573E-01 | 0.2055439E-02 |
| 62 | 3.053404 | 3.376656 | 0.429244 | 0.1971621E+00 | 0.7466604E+00 | 0.2090524E+01 | 0.6163999E+01 | 0.1388895E-01 | 0.3162107E+00 | -0.4457562E+00 | -0.1295456E+00 |
| 63 | 2.033670 | 3.076866 | -0.683637 | 0.1243837E+00 | 0.5081157E+00 | 0.8381051E+00 | 0.4203296E+01 | 0.3823773E-01 | 0.1736760E+00 | -0.2203230E+00 | -0.4664705E-01 |
| 64 | 1.915916 | 1.722727 | -0.525602 | 0.3939826E-01 | 0.1633043E+00 | 0.6450938E-01 | 0.1924910E+01 | 0.4646151E-01 | 0.4031515E-01 | -0.3980421E-01 | 0.5109357E-03 |
| 65 | 2.493418 | 1.977169 | 0.783721 | 0.1280801E+00 | 0.5457986E+00 | 0.9326337E+00 | 0.4108816E+01 | 0.1281241E-01 | 0.1844075E+00 | -0.2323654E+00 | -0.4795787E-01 |
| 66 | 1.954156 | -0.690157 | 3.077236 | 0.1320519E+00 | 0.5368444E+00 | 0.9452515E+00 | 0.4395476E+01 | 0.4645537E-01 | 0.1877943E+00 | -0.2413776E+00 | -0.5358324E-01 |
| 67 | 2.486948 | 0.694701 | 2.007509 | 0.1326113E+00 | 0.5672740E+00 | 0.1004650E+01 | 0.4189103E+01 | 0.6472123E-02 | 0.1935611E+00 | -0.2453036E+00 | -0.5174256E-01 |
| 68 | 3.464386 | 2.249385 | -0.537972 | 0.2034323E+00 | 0.7453939E+00 | 0.2181481E+01 | 0.6505199E+01 | 0.8281779E-02 | 0.3262713E+00 | -0.4661941E+00 | -0.1399228E+00 |
| 69 | 3.306650 | -0.749245 | 2.121896 | 0.2011583E+00 | 0.7412002E+00 | 0.2136108E+01 | 0.6420579E+01 | 0.8740061E-02 | 0.3218223E+00 | -0.4583445E+00 | -0.1365222E+00 |
| 70 | -3.512414 | 0.629807 | -1.883975 | 0.2028373E+00 | 0.7543819E+00 | 0.2190253E+01 | 0.6396393E+01 | 0.1867097E-01 | 0.3267854E+00 | -0.4649754E+00 | -0.1381900E+00 |
| 71 | -2.111405 | -1.216594 | -1.327250 | 0.3211350E-01 | 0.1353838E+00 | 0.2860563E-01 | 0.1651427E+01 | 0.9224537E+01 | 0.3187965E-01 | -0.2991335E-01 | 0.1966297E-02 |
| 72 | -0.766675 | 0.918912 | -0.911020 | 0.1916274E-01 | 0.6251141E-01 | 0.5116575E-02 | 0.1512690E+01 | 0.2637530E+01 | 0.1435858E-01 | -0.1308932E-01 | 0.1269269E-02 |
| 73 | 0.624414 | 0.488384 | -0.555798 | 0.1880166E+00 | 0.4822615E+00 | 0.1282221E+01 | 0.8817068E+01 | 0.2149005E-01 | 0.2575491E+00 | -0.3945328E+00 | -0.1369837E+00 |
| 74 | 3.204223 | 0.216603 | 3.325950 | 0.1974987E+00 | 0.7426684E+00 | 0.2084992E+01 | 0.6214773E+01 | 0.1364027E-01 | 0.3160912E+00 | -0.4465154E+00 | -0.1304241E+00 |
| 75 | -1.587376 | -3.309023 | -0.918803 | 0.2279410E+00 | 0.8235169E+00 | 0.2752698E+01 | 0.7117235E+01 | 0.1605384E-02 | 0.3814680E+00 | -0.5570567E+00 | -0.1755887E+00 |
| 76 | -1.357130 | 1.679428 | -0.566443 | 0.3436067E-01 | 0.1050582E+00 | 0.4090877E-01 | 0.2382059E+01 | 0.8200528E-01 | 0.2793699E-01 | -0.2960943E-01 | -0.1672434E-02 |
| 77 | -1.267980 | 1.595191 | 0.256185 | 0.3181371E+00 | -0.1605723E+01 | 0.5606753E+01 | -0.6362576E+01 | 0.1763675E-01 | 0.1580685E+00 | -0.7175679E+00 | -0.5594994E+00 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 41 | 1 | 2 | 1.987158 | 1.987584 | 26 |
| 2 | 52 | 1 | 13 | 2.245101 | 2.247332 | 27 |
| 3 | 49 | 1 | 24 | 1.809153 | 1.809177 | 23 |
| 4 | 48 | 1 | 26 | 2.079798 | 2.079995 | 27 |
| 5 | 55 | 1 | 28 | 1.802394 | 1.802453 | 23 |
| 6 | 66 | 2 | 11 | 1.967005 | 1.967264 | 26 |
| 7 | 57 | 3 | 4 | 1.808468 | 1.808521 | 23 |
| 8 | 56 | 3 | 15 | 2.570004 | 2.572120 | 29 |
| 9 | 58 | 3 | 21 | 1.961459 | 1.961784 | 26 |
| 10 | 53 | 3 | 22 | 1.816562 | 1.816594 | 24 |
| 11 | 47 | 3 | 23 | 1.984225 | 1.984421 | 25 |
| 12 | 37 | 5 | 9 | 1.799261 | 1.799321 | 25 |
| 13 | 68 | 6 | 7 | 1.807757 | 1.807818 | 23 |
| 14 | 64 | 6 | 15 | 2.457592 | 2.459822 | 29 |
| 15 | 65 | 6 | 20 | 1.970107 | 1.970230 | 26 |
| 16 | 63 | 6 | 21 | 1.989826 | 1.990196 | 26 |
| 17 | 62 | 6 | 27 | 1.818792 | 1.818812 | 24 |
| 18 | 35 | 8 | 10 | 1.879084 | 1.879355 | 25 |
| 19 | 75 | 8 | 12 | 1.763940 | 1.763964 | 24 |
| 20 | 36 | 8 | 14 | 2.449459 | 2.451282 | 27 |
| 21 | 33 | 8 | 18 | 1.766279 | 1.766295 | 23 |
| 22 | 40 | 8 | 26 | 1.852997 | 1.853193 | 23 |
| 23 | 32 | 9 | 10 | 2.081171 | 2.081690 | 25 |
| 24 | 38 | 9 | 14 | 2.241061 | 2.242613 | 27 |
| 25 | 70 | 9 | 19 | 1.809200 | 1.809219 | 23 |
| 26 | 39 | 9 | 23 | 2.002227 | 2.002414 | 26 |
| 27 | 71 | 10 | 14 | 2.478594 | 2.483371 | 29 |
| 28 | 61 | 11 | 13 | 2.575275 | 2.576999 | 29 |
| 29 | 67 | 11 | 20 | 1.955842 | 1.955972 | 25 |
| 30 | 74 | 11 | 25 | 1.818065 | 1.818099 | 24 |
| 31 | 69 | 11 | 29 | 1.812037 | 1.812087 | 23 |
| 32 | 60 | 13 | 17 | 1.709241 | 1.709306 | 24 |
| 33 | 50 | 14 | 17 | 1.733347 | 1.733409 | 23 |
| 34 | 73 | 15 | 17 | 1.695602 | 1.695657 | 24 |
| 35 | 51 | 16 | 17 | 1.795202 | 1.795484 | 24 |
| 36 | 77 | 16 | 30 | 1.000075 | 1.000179 | 20 |
| 37 | 72 | 17 | 23 | 2.844800 | 2.850292 | 31 |
| 38 | 76 | 23 | 30 | 1.869726 | 1.894298 | 26 |
Timing
| Factor | |
|---|---|
| Cpu | 79116.93 |
| System | 649.81 |
| Elapsed | 80636.04 |
Report data
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