Accuracy

V(CO)6(-) (BOBHIJ)   3056 V(CO)6(-) (BOBHIJ)

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    #  Species Formula
  3046 V(IV)O5N (CUCWUS) (Geo)C15H19NO5V
  3047 V(IV)O3N3 (CAGSAE) (Geo)C14H13N3O5V
  3048 V(IV)O3N3 (CAGSAE)C14H13N3O5V
  3049 VO(H2O)5 (Geo)H10O6V
  3050 V(III)O6(3+) (COLNUM) (Geo)H12O6V
  3051 V(III)O6(3+) (COLNUM)H12O6V
  3052 V(II)(H2O)6H12O6V
  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


ΔHf: -265.3 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 PM7
V(CO)6(-) (BOBHIJ)
 H=-265.3 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.85304717 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.18265047 +1  179.9395587 +1  180.0000000 +0     2     1     0
  O     3.03438888 +1   70.1694889 +1 -146.9571223 +1     1     2     3
  O     3.03555892 +1  113.5070228 +1  -59.2305940 +1     1     2     4
  O     3.03557672 +1  103.9783935 +1 -123.8214923 +1     1     5     2
  C     1.86646014 +1   73.4383729 +1 -125.1168830 +1     1     2     4
  C     1.86634357 +1   73.4396789 +1 -109.7766272 +1     1     2     7
  C     1.18280139 +1   37.8315089 +1    0.0038107 +1     4     2     1
  C     1.17610067 +1   28.9384696 +1    2.5360983 +1     5     2     1
  C     1.17612737 +1    4.8285424 +1   16.5026374 +1     6     1     7
  O     1.17612624 +1  121.5390067 +1 -173.6929594 +1     7     2     1
  O     1.17610405 +1  121.5544519 +1  173.7001240 +1     8     2     1