Accuracy

ni(co)4   3529 Ni(CO)4

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    #  Species Formula
  3519 Ni(II)N6(2+) (AEAMNI10) (Geo)C8H26N6Ni
  3520 Nickel phthalocyanine (Geo)C32H16N8Ni
  3521 Nickel monoxideONi
  3522 cis-Ni(II)(OH)2.(H2O)2H6O4Ni
  3523 cis-Ni(II)(OH)2.(H2O)2 (Geo)H6O4Ni
  3524 trans-Ni(II)(OH)2.(H2O)2H6O4Ni
  3525 trans-Ni(II)(OH)2.(H2O)2 (Geo)H6O4Ni
  3526 Ni(II)(OH).(H2O)3H7O4Ni
  3527 Ni(II)(H2O)4H8O4Ni
  3528 Ni(II)(H2O)4 (Geo)H8O4Ni
  3529 Ni(CO)4 C4O4Ni
  3530 Ni(CO)4 (Geo)C4O4Ni
  3531 Ni(CO)3NOC3NO4Ni
  3532 Ni(CO)3NO (Geo)C3NO4Ni
  3533 Ni(II)C4N (VAXSUI) (Geo)C13H17NO4Ni
  3534 Ni(II)C4N (VAXSUI)C13H17NO4Ni
  3535 Ni(II)(DMG) (NIMGLO10) (Geo)C8H14N4O4Ni
  3536 Ni(II)(DMG) (NIMGLO10)C8H14N4O4Ni
  3537 Ni(II)(H2O)6H12O6Ni
  3538 Ni(II)(H2O)6 (Geo)H12O6Ni
  3539 Ni(II)O6(2+) (JERNID) (Geo)H12O6Ni


ΔHf: -143.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 SYMMETRY SHIFT=80 PM7
Ni(CO)4
 HR=NIST H=-143.8
 
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.85331909 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.85331909 +0  109.4712210 +0    0.0000000 +0     1     2     0
  C     1.85331909 +0  109.4712210 +0  120.0000000 +0     1     2     3
  C     1.85331909 +0  109.4712210 +0 -120.0000000 +0     1     2     3
  O     1.14734388 +1  180.0000000 +0    0.0000000 +0     2     1     3
  O     1.14734388 +0  180.0000000 +0    0.0000000 +0     3     1     2
  O     1.14734388 +0  180.0000000 +0    0.0000000 +0     4     1     3
  O     1.14734388 +0  180.0000000 +0    0.0000000 +0     5     1     2
 
   2  1    3    4    5
   6  1    7    8    9