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

(os(nh3)5cl)plusplus r   7561 [Os(NH3)5Cl]++ (Geo)

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    #  Species Formula
  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
  7561 [Os(NH3)5Cl]++ (Geo) H15N5ClOs
  7562 Osmium(IV) oxide dichlorideOCl2Os
  7563 Osmium(IV) oxide dichloride (Geo)OCl2Os
  7564 Osmium(III) trichlorideCl3Os
  7565 cis-tetrachlorodifluoroosmate(v) OsCl4F2(-) (Geo)F2Cl4Os
  7566 Os(III)Cl6 d5 (Geo)Cl6Os
  7567 Osmium(IV) oxide dibromideOBr2Os
  7568 Osmium(IV) oxide dibromide (Geo)OBr2Os
  7569 Osmium(III) tribromideBr3Os
  7570 Os(CO)4F2 (BEDKEB) (Geo)C4O4F12Sb2Os
  7571 Os(CO)3(C3H5)IC6H5O3IOs


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 UHF PM7
[Os(NH3)5Cl]++
 <Os-N> <><> <><><> <><><> <><><> <Os-Cl> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.20525600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.04254282 +1   87.2419131 +1    0.0000000 +0     1     2     0
  N     2.02931981 +1   91.6190081 +1 -172.0265237 +1     1     3     2
  N     2.04092235 +1   88.7608025 +1  172.9926810 +1     1     2     3
 Cl     2.46480560 +1   86.3171777 +1  -86.4199453 +1     1     2     5
  N     2.24772200 +1   92.9042267 +1 -179.7289916 +1     1     2     6
  H     1.03882049 +1  115.5843502 +1  178.9101602 +1     2     1     3
  H     1.05213720 +1  110.3389501 +1  115.6738375 +1     2     1     8
  H     1.03636861 +1  118.4938780 +1  120.3554387 +1     2     1     9
  H     1.05283493 +1  118.7469068 +1  -42.9681796 +1     3     1     2
  H     1.05378167 +1  118.1245310 +1 -123.3510646 +1     3     1    11
  H     1.07292677 +1  112.4512844 +1 -117.2939763 +1     3     1    12
  H     1.05437787 +1  118.5637653 +1 -152.6257683 +1     4     1     3
  H     1.05495989 +1  118.2007550 +1  122.9381186 +1     4     1    14
  H     1.07603297 +1  112.5487909 +1  118.2016805 +1     4     1    15
  H     1.05398715 +1  117.9040009 +1   27.5150369 +1     5     1     2
  H     1.05288573 +1  118.9402631 +1  123.1127298 +1     5     1    17
  H     1.07372539 +1  112.5811269 +1  119.1855104 +1     5     1    18
  H     1.03341875 +1  114.6865569 +1 -135.3751633 +1     7     1     2
  H     1.03401682 +1  114.3433521 +1  119.8451144 +1     7     1    20
  H     1.03359898 +1  114.7650175 +1  119.9615523 +1     7     1    21