Accuracy

V(IV)O6(2-) (AOXVAN10)   3065 V(IV)O6(2-) (AOXVAN10)

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    #  Species Formula
  3055 V(CO)6(-) (BOBHIJ) (Geo)C6O6V
  3056 V(CO)6(-) (BOBHIJ)C6O6V
  3057 V(II)O6(2+) (DATBUV) (Geo)C6H18O6V
  3058 V(IV)O6(2-) (BOBWEU) (Geo)C18H12O6V
  3059 V(IV)O6(2-) (BOBWEU)C18H12O6V
  3060 Vanadium(III) EDTA (Geo)C10H12N2O8V
  3061 Vanadium(III) EDTAC10H12N2O8V
  3062 V(V)O6(3-) (AOXOVA) (Geo)C4O10V
  3063 V(V)O6(3-) (AOXOVA)C4O10V
  3064 V(IV)O6(2-) (AOXVAN10) (Geo)C4H2O10V
  3065 V(IV)O6(2-) (AOXVAN10) C4H2O10V
  3066 V(III)O6(-) (DABKEW) (Geo)C4H4O10V
  3067 V(III)O6(-) (DABKEW)C4H4O10V
  3068 V(IV)O5(2-) (AJUJEU) (Geo)C6H6O10V
  3069 V(IV)O5(2-) (AJUJEU)C6H6O10V
  3070 Vanadium(I) fluorideFV
  3071 Vanadium(I) fluoride (Geo)FV
  3072 Vanadium(V) fluoride dioxideO2FV
  3073 Vanadium(V) fluoride dioxide (Geo)O2FV
  3074 Vanadium(III) trifluorideF3V
  3075 Vanadium(III) fluoride (Geo)F3V


ΔHf: -541.4 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=-2 UHF PM7
V(IV)O6(2-) (AOXVAN10)
 H=-541.4 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.95408616 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.93973202 +1   81.5736093 +1    0.0000000 +0     1     2     0
  O     1.58331899 +1  107.1602827 +1 -107.0802229 +1     1     2     3
  O     4.96306353 +1  103.7727843 +1 -176.2796526 +1     1     2     4
  O     1.75209597 +1  117.1334283 +1   50.4800548 +1     1     2     5
  O     2.19848396 +1  146.7076957 +1   22.5945682 +1     6     1     2
  O     3.14091254 +1   70.7015592 +1  -83.6726145 +1     7     6     5
  O     4.49741540 +1  128.8578849 +1  -30.4457985 +1     1     2     6
  O     2.22799863 +1  143.3737603 +1  -13.7817622 +1     3     1     2
  O     2.22768357 +1  142.7955997 +1   14.1635525 +1     2     1     3
  H     0.96261856 +1    0.0060676 +1  -95.2297280 +1     5     1     2
  H     0.96777485 +1  101.3272366 +1 -116.6749237 +1     5     1    12
  C     1.20729513 +1   31.9467586 +1   20.9103370 +1     7     6     8
  C     1.22233562 +1   47.8669949 +1   64.3049663 +1     8     7     6
  C     1.21101563 +1   28.4818887 +1   10.8253166 +1    10     3     1
  C     1.21205129 +1   28.3578985 +1  -11.3351432 +1    11     2     1