Accuracy

(os(nh3)5h2o)plusplus r   7538 [Os(NH3)5H2O]++ (Geo)

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    #  Species Formula
  7528 Re2Cl6Cl6Re2
  7529 Re2Cl6 (Geo)Cl6Re2
  7530 Osmium, cationOs
  7531 Osmium, atomOs
  7532 OsmoceneC10H10Os
  7533 Osmocene (Geo)C10H10Os
  7534 Os(II)(NH3)6H18N6Os
  7535 Os(II)(NH3)6 (Geo)H18N6Os
  7536 Osmium(II) tris(ethylenediamine) (Geo)C6H24N6Os
  7537 Osmium(II) tris(ethylenediamine)C6H24N6Os
  7538 [Os(NH3)5H2O]++ (Geo) H17N5OOs
  7539 [Os(NH3)5H2O]++H17N5OOs
  7540 OsN5O(2+) (BEFDAS) (Geo)C6H20N5OOs
  7541 Methyl osmium(III) dihydroxide (Geo)CH5O2Os
  7542 Os(CO)4(C2H4)C6H4O4Os
  7543 Os(CO)4(C2H4) (Geo)C6H4O4Os
  7544 Osmium pentacarbonyl (Geo)C5O5Os
  7545 Osmium pentacarbonylC5O5Os
  7546 Os(III)(H2O)6 d5 (Geo)H12O6Os
  7547 Os(II)(H2O)6H12O6Os
  7548 Os(II)(H2O)6 (Geo)H12O6Os


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.
  
 CHARGE=2 PM7
[Os(NH3)5H2O]++
 <> <><> <><><> <><><> <Os-O> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.03827563 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.15992145 +1   89.7297882 +1    0.0000000 +0     1     2     0
  N     2.14517260 +1   90.6061770 +1 -171.7454948 +1     1     3     2
  N     2.03282629 +1   89.0987365 +1  172.7783480 +1     1     2     3
  O     2.29845900 +1   74.0749715 +1  -75.4003946 +1     1     2     5
  N     2.03573488 +1  107.9442398 +1 -175.9042159 +1     1     2     6
  H     1.04904332 +1  116.7961449 +1  138.4954518 +1     2     1     3
  H     1.05706570 +1  114.8873648 +1  120.8556033 +1     2     1     8
  H     1.04859825 +1  116.2880443 +1  118.3108329 +1     2     1     9
  H     1.04046536 +1  116.7520313 +1  -23.1004255 +1     3     1     2
  H     1.04115267 +1  118.4263965 +1 -123.3683308 +1     3     1    11
  H     1.03922807 +1  111.1622289 +1 -118.5470378 +1     3     1    12
  H     1.04195898 +1  116.6858536 +1  -86.8585733 +1     4     1     7
  H     1.04408109 +1  118.7587484 +1  122.9675457 +1     4     1    14
  H     1.04079016 +1  111.2535861 +1  118.9180399 +1     4     1    15
  H     1.05032041 +1  116.4657949 +1   51.8673150 +1     5     1     2
  H     1.05063678 +1  116.2395170 +1  120.5469274 +1     5     1    17
  H     1.05717923 +1  115.8885613 +1  118.5729311 +1     5     1    18
  H     1.06049641 +1  118.9591771 +1  169.8091400 +1     7     1     2
  H     1.05057102 +1  113.4768510 +1  119.9241588 +1     7     1    20
  H     1.05389599 +1  116.8936410 +1  118.2672721 +1     7     1    21
  H     0.98301743 +1  134.3409343 +1   75.1262017 +1     6     1     2
  H     0.98023975 +1  122.6339133 +1  171.0887037 +1     6     1    23