Accuracy

(os(nh3)5h2o)plusplus   7539 [Os(NH3)5H2O]++

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    #  Species Formula
  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
  7549 Osmium di-acetylacetonate dihydrate (Geo)C10H18O6Os


ΔHf: 267.6 kcal/mol,     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 PULAY SHIFT=80 PM7
[Os(NH3)5H2O]++
 H=267.6 HR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.09721633 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.95543760 +1   89.3619004 +1    0.0000000 +0     1     2     0
  N     2.09882540 +1   89.2260280 +1 -178.8484993 +1     1     3     2
  N     2.12602218 +1   90.3047287 +1  146.4517229 +1     1     2     3
  O     4.31728221 +1   88.8343504 +1 -116.3603646 +1     1     2     5
  N     2.08151942 +1   90.6815115 +1 -168.6394938 +1     1     2     6
  H     1.04350976 +1  116.5543121 +1 -167.3730702 +1     2     1     3
  H     1.04440834 +1  115.0555406 +1  119.0752122 +1     2     1     8
  H     1.04560818 +1  115.6900411 +1  120.3736021 +1     2     1     9
  H     1.06276106 +1  118.0513130 +1  -27.1471902 +1     3     1     2
  H     1.06165380 +1  117.9391155 +1 -121.3286122 +1     3     1    11
  H     1.08721493 +1  114.3628345 +1 -119.7329775 +1     3     1    12
  H     1.04335331 +1  116.3389596 +1  -57.4801914 +1     4     1     7
  H     1.04517133 +1  115.6615055 +1  120.5311164 +1     4     1    14
  H     1.04391415 +1  115.1166706 +1  120.4957788 +1     4     1    15
  H     1.04713758 +1  118.3748811 +1   29.1358866 +1     5     1     2
  H     1.04707450 +1  118.3306662 +1  123.8578828 +1     5     1    17
  H     1.04523285 +1  110.7106167 +1  118.0811054 +1     5     1    18
  H     1.05041179 +1  118.0852002 +1 -153.0031942 +1     7     1     2
  H     1.05087824 +1  118.2519701 +1  123.1643892 +1     7     1    20
  H     1.04914758 +1  111.7263019 +1  118.4605137 +1     7     1    21
  H     0.96527369 +1  117.9805753 +1   43.1506763 +1     6     1     2
  H     0.96675342 +1  131.3190961 +1  148.2249804 +1     6     1    23