Accuracy

vo(h2o)5r   3049 VO(H2O)5 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3039 VC10(+) (BOBHIJ)C14H14O4V
  3040 V(V)O4N2(-) (BALLIJ) (Geo)C18H12N2O4V
  3041 V(V)O4N2(-) (BALLIJ)C18H12N2O4V
  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)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


REF: "Structural Inorganic Chemistry", A. F. Wells, Clarendon Press, Oxford, 1984.
  
 SHIFT=10 LET CHARGE=2 SYMMETRY UHF PM7
VO(H2O)5
 <V=O> <V-O(eq)> <> <V-O(ax)> GR=WELLS84
 
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.59000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.02000000 +1   94.7570937 +1    0.0000000 +0     1     2     0
  O     2.22000000 +1  180.0000000 +0    0.0000000 +0     1     2     3
  O     2.02000000 +0   90.0000000 +0   90.0000000 +0     1     2     3
  O     2.02000000 +0   90.0000000 +0  180.0000000 +0     1     2     3
  O     2.02000000 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  H     1.01230432 +1  116.8795255 +1   -0.4928777 +1     3     1     2
  H     0.98664402 +1  140.2159881 +1  179.0679795 +1     3     1     2
  H     0.98171872 +1  129.7698255 +1   -0.3702094 +1     4     1     3
  H     0.98305071 +1  127.4522690 +1  179.7159367 +1     4     1     3
  H     1.00975783 +1  118.7360290 +1   -0.4562683 +1     5     1     2
  H     0.98886129 +1  137.8985890 +1  179.4424953 +1     5     1     2
  H     1.01238398 +1  116.7203729 +1   -0.0992689 +1     6     1     2
  H     0.98725268 +1  140.3388658 +1  179.7938324 +1     6     1     2
  H     1.00973420 +1  118.7875102 +1    0.5156347 +1     7     1     2
  H     0.98891797 +1  137.8367494 +1 -179.2410349 +1     7     1     2
 
   3  1    5    6    7