Accuracy

vanadium(v) diacetylacetonate oxide   3043 Vanadium(V) diacetylacetonate oxide

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    #  Species Formula
  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 oxide C10H14O5V
  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


ΔHf: -293.0 kcal/mol,     REF: M. Ribeiro, "Proceedings of the 11th Summer School on Coordination Chemistry and Catalysis", J. Ziolkowski, Ed., World Scientific, Singapore (1988).
  
 UHF PM7
Vanadium(V) diacetylacetonate oxide
 H=-293 HR=R1988
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     3.38378599 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40151475 +1   60.8576047 +1    0.0000000 +0     2     1     0
  C     1.40215214 +1   60.9833516 +1  172.2756434 +1     2     1     3
  O     1.26303121 +1  122.4355297 +1   -0.3189389 +1     3     2     4
  O     1.26237936 +1  122.4687631 +1    1.1643804 +1     4     2     3
  O     1.56423608 +1  120.1321050 +1  -86.6006531 +1     1     2     3
  H     4.46040539 +1  121.5445380 +1   -0.0045473 +1     1     7     2
  C     1.49843814 +1  121.9613860 +1 -173.1468850 +1     3     2     1
  C     1.49848409 +1  121.9234904 +1  173.9388293 +1     4     2     1
  H     1.10266913 +1  111.4888468 +1   -1.3397960 +1     9     3     5
  H     1.09992005 +1  111.0200226 +1  118.5471138 +1     9     3     5
  H     1.09912462 +1  111.0739004 +1 -121.5074586 +1     9     3     5
  H     1.10262853 +1  111.4942358 +1    1.3086232 +1    10     4     6
  H     1.09909705 +1  111.0854617 +1  121.4885586 +1    10     4     6
  H     1.09991448 +1  110.9978256 +1 -118.5695400 +1    10     4     6
  C     3.38570218 +1  101.6272706 +1  179.6912222 +1     1     7     2
  C     1.40167517 +1   60.9505665 +1   92.5576136 +1    17     1     7
  C     1.40174034 +1   60.9739073 +1  -92.8160255 +1    17     1     7
  O     1.26146589 +1  122.8993087 +1    7.8623850 +1    18    17     1
  O     1.26147525 +1  122.8956365 +1   -7.6914914 +1    19    17     1
  H     4.46285736 +1  100.2281776 +1  179.6958898 +1     1     7     2
  C     1.49966747 +1  121.5854403 +1 -173.2445948 +1    18    17     1
  C     1.49965010 +1  121.6098298 +1  173.3614500 +1    19    17     1
  H     1.10227233 +1  111.4633611 +1    1.4819056 +1    23    18    20
  H     1.09834107 +1  111.3610928 +1  122.0298289 +1    23    18    20
  H     1.10021193 +1  110.7280696 +1 -117.9998419 +1    23    18    20
  H     1.10225226 +1  111.4714795 +1   -1.7375260 +1    24    19    21
  H     1.10022246 +1  110.7205094 +1  117.7351810 +1    24    19    21
  H     1.09834335 +1  111.3655396 +1 -122.2957338 +1    24    19    21