PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

os(ii)(h2o)6r   7549 Os(II)(H2O)6 (Geo)

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    #  Species Formula
  7539 [Os(NH3)5H2O]++ (Geo)H17N5OOs
  7540 [Os(NH3)5H2O]++H17N5OOs
  7541 OsN5O(2+) (BEFDAS) (Geo)C6H20N5OOs
  7542 Methyl osmium(III) dihydroxide (Geo)CH5O2Os
  7543 Os(CO)4(C2H4)C6H4O4Os
  7544 Os(CO)4(C2H4) (Geo)C6H4O4Os
  7545 Osmium pentacarbonyl (Geo)C5O5Os
  7546 Osmium pentacarbonylC5O5Os
  7547 Os(III)(H2O)6 d5 (Geo)H12O6Os
  7548 Os(II)(H2O)6H12O6Os
  7549 Os(II)(H2O)6 (Geo) H12O6Os
  7550 Osmium di-acetylacetonate dihydrate (Geo)C10H18O6Os
  7551 Osmium di-acetylacetonate dihydrateC10H18O6Os
  7552 OsO4N2 (BABWAC) (Geo)C4H8N2O6Os
  7553 Osmium(IV) oxide difluorideOF2Os
  7554 Osmium(IV) oxide difluoride (Geo)OF2Os
  7555 Osmium(III) trifluoride (Geo)F3Os
  7556 Os(III)F6 d5 (Geo)F6Os
  7557 Os(CO)4(PEt3)C10H15O4POs
  7558 Os(CO)4(PEt3) (Geo)C10H15O4POs
  7559 Os(Cp)NP2(2+) (BELNOV) (Geo)C11H23NOP2Os


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF QUINTET SYMMETRY CHARGE=2 PM7
Os(II)(H2O)6
 <Os-O> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.19870000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.19870000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  O     2.19870000 +0   90.0000000 +0   90.0000000 +0     1     2     3
  O     2.19870000 +0   90.0000000 +0   90.0000000 +0     1     2     4
  O     2.19870000 +0   90.0000000 +0   90.0000000 +0     1     2     5
  O     2.19870000 +0   90.0000000 +0 -180.0000000 +0     1     6     2
  H     0.99184457 +1  127.8478178 +1    0.0000000 +0     2     1     3
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     2     1     8
  H     0.99184457 +0  127.8478178 +0    0.0000000 +0     7     1     3
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     7     1    10
  H     0.99184457 +0  127.8478178 +0    0.0000000 +0     4     1     2
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     4     1    12
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     6     1     2
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     6     1    14
  H     0.99184457 +0  127.8478178 +0   90.0000000 +0     3     1     2
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     3     1    16
  H     0.99184457 +0  127.8478178 +0   90.0000000 +0     5     1     2
  H     0.99184457 +0  127.8478178 +0 -180.0000000 +0     5     1    18