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

VC12(plus) (CCPZRB)   3036 VC12(+) (CCPZRB)

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    #  Species Formula
  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
  3032 VC11O (BEYRIG)C11H12OV
  3033 V(IV)ON4 (CAKMAC10) (Geo)C32H34N4OV
  3034 Vanadium(IV) oxide (Geo)O2V
  3035 VC12(+) (CCPZRB) (Geo)C12H10O2V
  3036 VC12(+) (CCPZRB) C12H10O2V
  3037 Methyl vanadium(V) oxide dihydroxide (Geo)CH5O3V
  3038 Vanadium(V) tri-ethoxide oxideC6H15O4V
  3039 VC10(+) (BOBHIJ) (Geo)C14H14O4V
  3040 VC10(+) (BOBHIJ)C14H14O4V
  3041 V(V)O4N2(-) (BALLIJ) (Geo)C18H12N2O4V
  3042 V(V)O4N2(-) (BALLIJ)C18H12N2O4V
  3043 V(IV)O5 (ACACVO) (Geo)C10H14O5V
  3044 Vanadium(V) diacetylacetonate oxideC10H14O5V
  3045 V(IV)O6(2-) (BOBWOE) (Geo)C12H8O5V
  3046 V(IV)O6(2-) (BOBWOE)C12H8O5V


ΔHf: 88.2 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=1 UHF PM7
VC12(+) (CCPZRB)
 H=88.2 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.04852700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.04719189 +1   82.6476201 +1    0.0000000 +0     1     2     0
  O     1.14403152 +1  177.3485432 +1 -126.1511290 +1     2     1     3
  C     2.26021941 +1   95.3563122 +1  -70.8242680 +1     1     2     3
  C     1.44361805 +1   71.4606941 +1  -49.5997708 +1     5     1     2
  C     1.43899258 +1  107.8827429 +1  -63.2187683 +1     6     5     1
  C     1.43598195 +1  107.9817322 +1   -0.2539899 +1     7     6     5
  C     1.44019461 +1   72.0699657 +1 -116.6471590 +1     5     1     6
  C     2.27548452 +1  130.8557536 +1  152.3750210 +1     1     2     5
  C     1.43504187 +1   72.1389100 +1   98.7576212 +1    10     1     2
  C     1.43591042 +1  108.2992670 +1  -61.9576020 +1    11    10     1
  C     1.43889141 +1  107.9998653 +1   -0.3114290 +1    12    11    10
  C     1.44013530 +1   70.8941089 +1 -117.0519820 +1    10     1    11
  H     1.08807318 +1  132.3898416 +1 -120.9633616 +1    10     1    14
  H     1.08825966 +1  125.3042867 +1 -168.0603468 +1    11    10    12
  H     1.08807065 +1  125.3562763 +1 -168.1086653 +1    12    11    13
  H     1.08931956 +1  124.9322189 +1 -162.9048271 +1    13    12    11
  H     1.08930086 +1  124.8803627 +1 -134.2154540 +1    14    10     1
  H     1.08910712 +1  135.8972797 +1 -122.0453973 +1     5     1     9
  H     1.08929821 +1  124.8730442 +1 -163.2797833 +1     6     5     7
  H     1.08787929 +1  125.4699279 +1 -168.0696982 +1     7     6     8
  H     1.08821805 +1  125.2436111 +1 -167.6608813 +1     8     7     6
  H     1.08793572 +1  125.4218237 +1 -129.0029555 +1     9     5     1
  O     1.14413026 +1  174.6869623 +1  168.9663786 +1     3     1     2