Accuracy

v(ii)(h2o)6   3052 V(II)(H2O)6

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    #  Species Formula
  3042 V(IV)O5 (ACACVO) (Geo)C10H14O5V
  3043 Vanadium(V) diacetylacetonate oxideC10H14O5V
  3044 V(IV)O6(2-) (BOBWOE) (Geo)C12H8O5V
  3045 V(IV)O6(2-) (BOBWOE)C12H8O5V
  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)6 H12O6V
  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


ΔHf: 30.9 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 QUARTET RELSCF=30 PM7
V(II)(H2O)6
 H=30.9 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.37717335 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36889814 +1  114.6023811 +1    0.0000000 +0     1     2     0
  O     2.36557416 +1   65.1169061 +1   43.8322093 +1     1     2     3
  O     2.36816949 +1   65.1372390 +1  135.7763817 +1     1     2     4
  O     2.36768832 +1  114.9329386 +1   43.6173558 +1     1     2     5
  O     2.36830748 +1   65.1667533 +1 -179.5405595 +1     1     6     2
  H     0.97500774 +1  126.9206300 +1   62.1208323 +1     2     1     3
  H     0.97809513 +1  122.4895823 +1  148.1939441 +1     2     1     8
  H     0.97811916 +1  122.9809092 +1  -76.5817271 +1     7     1     4
  H     0.97520485 +1  126.6878187 +1  148.8653362 +1     7     1    10
  H     0.97892830 +1  122.1877113 +1  -29.6234749 +1     4     1     2
  H     0.97524030 +1  126.8907824 +1  147.1384227 +1     4     1    12
  H     0.97851780 +1  122.3546308 +1 -149.2792052 +1     6     1     2
  H     0.97543063 +1  126.7996603 +1 -147.4204124 +1     6     1    14
  H     0.97787366 +1  123.1465284 +1   77.8171789 +1     3     1     2
  H     0.97532965 +1  126.3412513 +1 -148.3585131 +1     3     1    16
  H     0.97828753 +1  123.0893652 +1  104.5700960 +1     5     1     2
  H     0.97539586 +1  126.0487974 +1  147.4497011 +1     5     1    18