Accuracy

VC10(plus) (BOBHIJ)   3039 VC10(+) (BOBHIJ)

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    #  Species Formula
  3029 Vanadium(II) oxide (Geo)OV
  3030 VC11O (BEYRIG) (Geo)C11H12OV
  3031 VC11O (BEYRIG)C11H12OV
  3032 V(IV)ON4 (CAKMAC10) (Geo)C32H34N4OV
  3033 Vanadium(IV) oxide (Geo)O2V
  3034 VC12(+) (CCPZRB) (Geo)C12H10O2V
  3035 VC12(+) (CCPZRB)C12H10O2V
  3036 Methyl vanadium(V) oxide dihydroxide (Geo)CH5O3V
  3037 Vanadium(V) tri-ethoxide oxideC6H15O4V
  3038 VC10(+) (BOBHIJ) (Geo)C14H14O4V
  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


ΔHf: -20.4 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=1 UHF PM7
VC10(+) (BOBHIJ)
 H=-20.4 HR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.97079830 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.14909917 +1  179.9995644 +1  180.0000000 +0     2     1     0
  C     2.26299105 +1  118.4840214 +1  -59.0353728 +1     1     2     3
  O     3.09929392 +1   82.8064584 +1   61.2894851 +1     1     2     4
  O     3.10026598 +1   85.6356062 +1  150.1287378 +1     1     2     5
  O     3.10855839 +1  141.0401742 +1  -74.0575872 +1     1     2     6
  C     1.15023628 +1   33.0362866 +1  -14.9241020 +1     5     2     1
  C     1.15030318 +1   30.5867772 +1   14.6133258 +1     6     2     1
  C     1.14947841 +1    7.9955874 +1    1.7469158 +1     7     2     1
  C     1.41758605 +1   72.5096574 +1 -155.5976466 +1     4     1     2
  C     1.43741679 +1  119.5446042 +1   48.2498983 +1    11     4     1
  C     1.44601542 +1  120.1487547 +1   11.5431180 +1    12    11     4
  C     1.41739738 +1  119.4571830 +1   -9.1456004 +1    13    12    11
  C     1.44472999 +1   67.8126377 +1  133.2729195 +1     4     1    11
  C     1.49348669 +1  140.8033428 +1  108.3315714 +1     4     1    15
  C     1.49221433 +1  121.4721452 +1  172.9406901 +1    11     4    12
  C     1.49349613 +1  118.4023119 +1  170.0443873 +1    13    12    14
  C     1.49216791 +1  121.4945304 +1  170.8232646 +1    14    13    12
  H     1.10403170 +1  118.6796097 +1  160.7028223 +1    12    11    13
  H     1.10405430 +1  118.4197473 +1  137.0201120 +1    15     4     1
  H     1.10296895 +1  113.3584729 +1  -66.5881723 +1    16     4     1
  H     1.10164441 +1  113.6371058 +1  122.1800541 +1    16     4    22
  H     1.10957204 +1  109.9654695 +1  119.1904512 +1    16     4    23
  H     1.10214352 +1  113.7213577 +1   42.5150034 +1    17    11     4
  H     1.10262098 +1  113.4439050 +1  122.3553198 +1    17    11    25
  H     1.11009979 +1  109.8600975 +1  118.6612972 +1    17    11    26
  H     1.10952579 +1  109.9727774 +1  -96.2351976 +1    18    13    12
  H     1.10167840 +1  113.6335368 +1 -119.1683627 +1    18    13    28
  H     1.10288998 +1  113.3673552 +1 -122.1274849 +1    18    13    29
  H     1.10243795 +1  113.4511633 +1  164.9653633 +1    19    14    13
  H     1.10201899 +1  113.7110748 +1 -122.6419938 +1    19    14    31
  H     1.11041092 +1  109.8297369 +1 -118.8423409 +1    19    14    32