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

Ni 2O and 2F r   3554 Ni 2O and 2F (Geo)

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    #  Species Formula
  3544 Nickel(I) fluorideFNi
  3545 Nickel(I) fluoride (Geo)FNi
  3546 Methyl nickel(II) fluorideCH3FNi
  3547 Methyl nickel(II) fluoride (Geo)CH3FNi
  3548 Nickel(IV) oxide difluorideOF2Ni
  3549 Nickel(IV) oxide difluoride (Geo)OF2Ni
  3550 cis-Ni(II)F2.(H2O)2H4O2F2Ni
  3551 cis-Ni(II)F2.(H2O)2 (Geo)H4O2F2Ni
  3552 trans-Ni(II)F2.(H2O)2H4O2F2Ni
  3553 trans-Ni(II)F2.(H2O)2 (Geo)H4O2F2Ni
  3554 Ni 2O and 2F (Geo) C3H8O2F2Ni
  3555 Nickel(II) tetrafluoride D4hF4Ni
  3556 Ni(II)OFN4(+) (ENFBNI) (Geo)H18BC4N4OF4Ni
  3557 Nickel(IV) hexafluoride (Geo)F6Ni
  3558 Nickel(II) hexafluoride Guessed (Geo)F6Ni
  3559 Ni(II)P2C2 (DILDAD) (Geo)C14H40Si2P2Ni
  3560 Ni(II)(PH3)4 (Geo)H12P4Ni
  3561 Ni(PF3)4F12P4Ni
  3562 Ni(II)S2N2 (BAEINI) (Geo)C8H14N2S2Ni
  3563 Ni(II)S2N2 (BAEINI)C8H14N2S2Ni
  3564 Ni(II)(en)2(NCS)2 (Geo)C6H16N6S2Ni


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.
  
 PULAY UHF PM7
Ni 2O and 2F
 <Ni-O> <><O-Ni-O> <Ni-F><F-Ni-O><F-Ni-O-O> GR=PW91D
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.02101900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.93781825 +1   67.6026140 +1    0.0000000 +0     1     2     0
  F     1.77016900 +1   95.7859590 +1  174.8427490 +1     1     2     3
  F     1.64182285 +1  148.6050388 +1  174.7955342 +1     1     2     4
  H     2.13918665 +1   80.2494728 +1 -104.5670648 +1     2     1     3
  H     1.80567459 +1   62.3892473 +1 -172.6803192 +1     6     2     1
  H     1.81714625 +1   60.6418116 +1   69.0514483 +1     6     2     7
  H     2.00739243 +1  111.6045520 +1  124.9593038 +1     2     1     6
  H     1.85897980 +1   66.4306822 +1  -86.3266333 +1     9     2     1
  H     2.13150691 +1   87.7328848 +1  -98.3114504 +1     3     1     2
  H     1.81033481 +1   63.1459147 +1  177.6135931 +1    11     3     1
  H     1.80887858 +1   60.3441607 +1   69.0555571 +1    11     3    12
  C     1.10936598 +1   34.4327941 +1  -39.2799765 +1     8     6     2
  C     1.10759163 +1   42.7471641 +1   28.6259065 +1     9     2    10
  C     1.10892764 +1   34.4685309 +1  -40.8245581 +1    13    11     3