Accuracy

V(V)O6(3-) (AOXOVA)   3063 V(V)O6(3-) (AOXOVA)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  3053 V(II)(H2O)6 (Geo)H12O6V
  3054 Vanadium hexacarbonyl (Geo)C6O6V
  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


ΔHf: -409.0 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=-3 PM7
V(V)O6(3-) (AOXOVA)
 H=-409.0 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.59872150 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.59896980 +1  120.0394428 +1    0.0000000 +0     1     2     0
  O     1.90847297 +1  104.8835837 +1  117.3015609 +1     1     2     3
  O     4.95265440 +1   97.8651929 +1   16.2861540 +1     1     2     4
  O     7.34854701 +1   42.1350370 +1  121.9370722 +1     5     1     2
  O     1.90750655 +1  104.6283036 +1  108.9561721 +1     1     2     5
  O     4.94300132 +1   95.6051389 +1  -15.5716014 +1     1     2     7
  O     2.19989570 +1  133.2609956 +1  -63.0881180 +1     4     1     2
  O     2.19985273 +1  133.5307935 +1   69.2936679 +1     7     1     2
  O     2.22990271 +1   77.0361790 +1   80.4700832 +1     5     1     6
  C     1.22317818 +1   30.2030866 +1   22.2515467 +1     9     4     5
  C     1.22330747 +1   30.2135658 +1  -22.5783869 +1    10     7     8
  C     1.23542745 +1   25.5109107 +1   25.4711312 +1    11     5     1
  C     1.23507099 +1   68.5944589 +1  -59.6996770 +1     6     5     1