Accuracy
tantalum(v) (oet)5
7287 Tantalum(V) (OEt)5
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Geometry predicted using PM7
ΔHf: -373.1 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Tantalum(V) (OEt)5
HR=NIST H=-373.1
Ta -0.00332437 +1 -0.04129427 +1 0.11353589 +1
O 1.83488358 +1 0.34025113 +1 0.14309575 +1
O -0.43571536 +1 1.76808351 +1 -0.35653807 +1
O 0.38552227 +1 -1.85161720 +1 0.50566859 +1
O -0.97374485 +1 0.09875592 +1 1.72902407 +1
O -0.83183371 +1 -0.65538828 +1 -1.45886831 +1
C 3.07915724 +1 0.82130863 +1 -0.30773578 +1
C -0.89364155 +1 3.08451647 +1 -0.41144388 +1
C 0.33380745 +1 -3.19854342 +1 0.89451247 +1
C -1.55268426 +1 0.51430916 +1 2.93457527 +1
C -1.65350265 +1 -0.42439976 +1 -2.58603868 +1
H 3.77292493 +1 -0.03534420 +1 -0.18541198 +1
H 2.99874646 +1 1.09445593 +1 -1.37568854 +1
C 3.48149173 +1 2.02030818 +1 0.55763457 +1
H -1.77288406 +1 3.17720359 +1 0.25353781 +1
H -0.07128306 +1 3.72333829 +1 -0.03366842 +1
C -1.25143325 +1 3.43012624 +1 -1.86613728 +1
C 1.44752965 +1 -3.45561862 +1 1.91850042 +1
H -0.66704674 +1 -3.40155504 +1 1.31864574 +1
H 0.47823340 +1 -3.78971104 +1 -0.03109117 +1
C -2.93592517 +1 1.11878789 +1 2.66570862 +1
H -1.61792485 +1 -0.40428488 +1 3.55325763 +1
H -0.87190283 +1 1.24499957 +1 3.41075514 +1
C -2.92802782 +1 -1.26042949 +1 -2.43120275 +1
H -1.03535218 +1 -0.75773685 +1 -3.44483775 +1
H -1.87661276 +1 0.65502006 +1 -2.67951362 +1
H 2.74719357 +1 2.82848480 +1 0.44464417 +1
H 3.47574563 +1 1.74023106 +1 1.61844109 +1
H 4.47120255 +1 2.39507026 +1 0.28879115 +1
H -0.41278702 +1 3.17461884 +1 -2.52475064 +1
H -2.11072127 +1 2.83807221 +1 -2.19740486 +1
H -1.48365350 +1 4.49037059 +1 -1.97960677 +1
H 1.31107864 +1 -2.80397870 +1 2.79046092 +1
H 2.42138637 +1 -3.19595183 +1 1.48638002 +1
H 1.46264435 +1 -4.49625268 +1 2.24529890 +1
H -3.56217125 +1 0.40048418 +1 2.12299276 +1
H -2.84378596 +1 2.00118784 +1 2.02044510 +1
H -3.43738556 +1 1.40443826 +1 3.59270622 +1
H -2.66917508 +1 -2.30972239 +1 -2.23823742 +1
H -3.50501943 +1 -0.91655219 +1 -1.56391500 +1
H -3.55572843 +1 -1.20292632 +1 -3.32280542 +1