PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
vanadium(v) diacetylacetonate oxide
3044 Vanadium(V) diacetylacetonate oxide
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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