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

vanadium(v) pentacyanide   3021 Vanadium(V) pentacyanide

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    #  Species Formula
  3011 Bicyclopentadienyl vanadiumC10H10V
  3012 Bicyclopentadienyl vanadium (Geo)C10H10V
  3013 V(Cp)2 (CPNDYV) (Geo)C10H10V
  3014 Dibenzene vanadiumC12H12V
  3015 VC12 (CPLHLV01) (Geo)C12H12V
  3016 VC10 (COGXOL) (Geo)C14H22V
  3017 VC10 (COGXOL)C14H22V
  3018 Vanadium nitrideNV
  3019 Vanadium(IV) tetracyanide 2EC4N4V
  3020 Vanadium(V) pentacyanide (Geo)C5N5V
  3021 Vanadium(V) pentacyanide C5N5V
  3022 V(II)(NH3)6H18N6V
  3023 V(II)(NH3)6 (Geo)H18N6V
  3024 V(IV)(CN)6 2T2gC6N6V
  3025 V(II)N6(2+) (BEQQIX) (Geo)C12H18N6V
  3026 V(II)N6(2+) (BEQQIX)C12H18N6V
  3027 V(0)N6 (DPYRDV) (Geo)C30H24N6V
  3028 V(0)N6 (DPYRDV)C30H24N6V
  3029 Vanadium oxideOV
  3030 Vanadium(II) oxide (Geo)OV
  3031 VC11O (BEYRIG) (Geo)C11H12OV


ΔHf: 270.2 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.
  
 PULAY PM7
Vanadium(V) pentacyanide
 H=270.2 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.97896132 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.97855963 +1   76.0953652 +1    0.0000000 +0     1     2     0
  C     1.98017900 +1  121.1375204 +1  -64.0426974 +1     1     2     3
  C     1.97979306 +1   75.8576222 +1  -63.7042618 +1     1     2     4
  C     1.97662929 +1  118.4500576 +1 -115.6660185 +1     1     2     5
  N     1.15957968 +1  147.4130594 +1 -179.8381224 +1     6     2     1
  N     1.16368224 +1  171.4954466 +1 -176.9849129 +1     4     1     2
  N     1.16397695 +1  170.8920173 +1 -113.3529636 +1     2     1     3
  N     1.16380856 +1  171.1212634 +1  112.7602238 +1     3     1     2
  N     1.16397380 +1  171.4699261 +1 -111.5071767 +1     5     1     2