Accuracy

nickel monoxide   3521 Nickel monoxide

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    #  Species Formula
  3511 Ni(II)(NH3)4 (Geo)H12N4Ni
  3512 Ni(II)(CN)4C4N4Ni
  3513 Ni(II)(CN)4 (Geo)C4N4Ni
  3514 Pentacyanonickelate(II) ion (Geo)C5N5Ni
  3515 Pentacyanonickelate(II) ionC5N5Ni
  3516 Ni(II)(NH3)6H18N6Ni
  3517 Ni(II)(NH3)6 (Geo)H18N6Ni
  3518 Ni(II)(en)3 (Geo)C6H24N6Ni
  3519 Ni(II)N6(2+) (AEAMNI10) (Geo)C8H26N6Ni
  3520 Nickel phthalocyanine (Geo)C32H16N8Ni
  3521 Nickel monoxide ONi
  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)4C4O4Ni
  3530 Ni(CO)4 (Geo)C4O4Ni
  3531 Ni(CO)3NOC3NO4Ni


Dipole: 4.0 Debye,     REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 PM7
Nickel monoxide
 DR=B88_LYP D=4.00
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ni     1.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.59011006 +1   90.0000000 +0    0.0000000 +0     2     1     0