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

os(acac)2(h2o)2r   7550 Osmium di-acetylacetonate dihydrate (Geo)

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    #  Species Formula
  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
  7560 Os(C6H6)CNCl (BEDYUF) (Geo)C17H14NClOs


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.
  
 PM7
Osmium di-acetylacetonate dihydrate
 <Os-O> <><> <><><> <><><> <Os-O(H2O)> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11094500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.62532274 +1   67.8962372 +1    0.0000000 +0     1     2     0
  O     1.98302342 +1   89.1725817 +1 -157.2142563 +1     1     3     2
  O     1.98535641 +1  129.4075525 +1 -150.2546612 +1     1     2     3
  O     2.21387800 +1   66.0921125 +1   22.0679768 +1     1     2     5
  O     4.05941755 +1  160.8942438 +1    8.4687438 +1     1     2     6
  C     1.25208292 +1   92.3334260 +1  -42.3128778 +1     2     1     3
  C     1.47711084 +1  109.4831224 +1    3.7480908 +1     8     2     1
  C     1.21035931 +1   48.4736772 +1  126.8478384 +1     3     1     2
  C     1.47178446 +1  122.6429306 +1  178.3771788 +1     8     2     9
  C     1.49050801 +1  122.8158127 +1  141.4164459 +1    10     3     1
  H     1.12826960 +1  114.6750376 +1 -119.3626691 +1     9     8     2
  H     1.10177751 +1  112.4603685 +1  133.0467555 +1    11     8     2
  H     1.11433101 +1  109.3399377 +1  117.9968485 +1    11     8    14
  H     1.10333062 +1  112.7173599 +1  119.1077882 +1    11     8    15
  H     1.10062361 +1  111.4480271 +1   -6.1170546 +1    12    10     3
  H     1.10965043 +1  111.0056544 +1 -119.6817206 +1    12    10    17
  H     1.09698961 +1  111.9496540 +1 -119.0198890 +1    12    10    18
  H     0.95585698 +1   63.9802532 +1  144.9881126 +1     7     1     2
  H     0.97124393 +1   37.7517103 +1  170.8500622 +1     7     1    20
  C     1.35088010 +1  115.8765742 +1  -59.2694726 +1     4     1     5
  C     1.35057740 +1  115.0349678 +1   11.5164253 +1    22     4     1
  C     1.41992244 +1   65.6252022 +1  -86.1465374 +1     5     1     2
  H     0.96714254 +1  127.4598971 +1   60.0992604 +1     6     1     2
  H     1.00106437 +1  113.5157780 +1    0.2825985 +1     6     1     5
  C     1.52629949 +1  113.7583510 +1  124.7241747 +1    24     5     1
  H     1.09638226 +1  110.1569139 +1 -174.9115792 +1    27    24     5
  H     1.09430033 +1  113.3580489 +1  121.0684237 +1    27    24    28
  H     1.09999922 +1  109.1355691 +1  119.9226859 +1    27    24    29
  H     1.06817098 +1  127.2769598 +1  178.1549057 +1    23    22     4
  C     1.48220005 +1  114.4061490 +1  178.7275545 +1    22     4    23
  H     1.09767837 +1  111.8550341 +1  149.6205520 +1    32    22     4
  H     1.09927141 +1  111.5834105 +1 -121.8082885 +1    32    22    33
  H     1.10447658 +1  110.1151386 +1 -118.7972437 +1    32    22    34