Accuracy

ir(ii)(nh3)6   7582 Ir(II)(NH3)6

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    #  Species Formula
  7572 Osmium(IV) oxide diiodideOI2Os
  7573 Osmium(IV) oxide diiodide (Geo)OI2Os
  7574 Os(CO)4I2C4O4I2Os
  7575 Os(CO)4I2 (Geo)C4O4I2Os
  7576 Osmium(III) triiodideI3Os
  7577 Tetraiodo-fluoro-nitrosyl-osmium, dianion OsI4F(NO)(=) (Geo)NOFI4Os
  7578 Os2(C8H8)(CO)6C14H8O6Os2
  7579 Os2(C8H8)(CO)6 (Geo)C14H8O6Os2
  7580 Iridium, cationIr
  7581 Iridium, atomIr
  7582 Ir(II)(NH3)6 H18N6Ir
  7583 Ir(II)(NH3)6 (Geo)H18N6Ir
  7584 Iridium(III) hexacyanide (Geo)C6N6Ir
  7585 Iridium(III) hexacyanideC6N6Ir
  7586 Ir(Cp)(CO)2 (WAMWEM) (Geo)C12H15O2Ir
  7587 Iridium tetracarbonyl, anion (Geo)C4O4Ir
  7588 Iridium tetracarbonyl, anionC4O4Ir
  7589 Ir(Acac)(CO)2 (Geo)C7H7O4Ir
  7590 Ir(CO)5 cation (Geo)C5O5Ir
  7591 Iridium pentacarbonyl, cation (Geo)C5O5Ir
  7592 Iridium pentacarbonyl, cationC5O5Ir


ΔHf: 339.2 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 UHF PM7
Ir(II)(NH3)6
 H=339.2 HR=PW91D
 Ir     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.15353538 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.15512006 +1   90.1643419 +1    0.0000000 +0     1     2     0
  N     2.15362881 +1   89.7511565 +1  179.8710430 +1     1     3     2
  N     2.15542150 +1   90.2598050 +1  179.9381608 +1     1     2     3
  N     2.15516318 +1   90.2188024 +1  -90.0722644 +1     1     2     5
  H     1.03541968 +1  113.5325095 +1   58.0446412 +1     6     1     2
  H     1.03515766 +1  113.4560522 +1 -119.6057719 +1     6     1     7
  H     1.03497411 +1  113.9823177 +1    7.5385912 +1     5     1     2
  H     1.03515547 +1  113.7323671 +1 -120.1984277 +1     5     1     9
  H     1.03581582 +1  113.7305251 +1  104.3993287 +1     4     1     5
  H     1.03556001 +1  113.6394498 +1  119.7286943 +1     4     1    11
  H     1.03512524 +1  113.6758147 +1 -107.0493651 +1     3     1     2
  H     1.03521215 +1  113.2967468 +1 -119.5536159 +1     3     1    13
  H     1.03561212 +1  113.6335485 +1   27.2376969 +1     2     1     3
  H     1.03515254 +1  113.9661620 +1 -120.1392666 +1     2     1    15
  N     2.15470804 +1   89.3077943 +1  179.9122974 +1     1     2     6
  H     1.03533902 +1  114.1086364 +1  179.8151764 +1    17     1     2
  H     1.03523739 +1  113.7479356 +1 -120.3185432 +1    17     1    18
  H     1.03559310 +1  113.6571519 +1 -120.1379442 +1     2     1    16
  H     1.03486149 +1  114.1556049 +1 -120.0347162 +1     3     1    14
  H     1.03515304 +1  113.9161418 +1  120.1377351 +1     4     1    12
  H     1.03525709 +1  113.4355709 +1 -119.7818545 +1     5     1    10
  H     1.03458832 +1  114.1311271 +1 -120.2478083 +1     6     1     8
  H     1.03510210 +1  113.3347047 +1 -119.7297034 +1    17     1    19