PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Tantalum(v) (OMe)5
7286 Tantalum(V) (OMe)5
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ΔHf: -328.1 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) (OMe)5
H=-328.1 HR=NIST
Ta 0.00000000 +0 0.00000000 +0 0.00000000 +0
O 1.88102818 +1 0.00000000 +0 0.00000000 +0
O -0.12902972 +1 1.90514505 +1 0.00000000 +0
O 0.04961876 +1 -1.88820120 +1 0.01789635 +1
O -0.93625908 +1 -0.13448158 +1 1.63571560 +1
O -0.84691091 +1 -0.05227928 +1 -1.67647820 +1
C 3.14939503 +1 0.58568444 +1 -0.16857678 +1
C -0.32693324 +1 3.28486763 +1 0.07828110 +1
C 0.24148373 +1 -3.16793853 +1 0.56861200 +1
C -1.34085119 +1 0.42815733 +1 2.86255946 +1
C -1.72662497 +1 -0.36042104 +1 -2.72475333 +1
H 3.59095800 +1 0.13384281 +1 -1.06812505 +1
H 3.06890359 +1 1.67361127 +1 -0.28143348 +1
H 3.72113760 +1 0.32775166 +1 0.73473379 +1
H -1.26933646 +1 3.47840967 +1 0.60749697 +1
H 0.52201423 +1 3.72329385 +1 0.61954317 +1
H -0.37746953 +1 3.67101253 +1 -0.94936637 +1
H 1.31717410 +1 -3.38715722 +1 0.57124495 +1
H -0.30352523 +1 -3.85719855 +1 -0.09311931 +1
H -0.16177367 +1 -3.20356286 +1 1.58788860 +1
H -0.72279965 +1 -0.02767775 +1 3.64846799 +1
H -2.40087663 +1 0.15625469 +1 2.97422932 +1
H -1.21809558 +1 1.51826976 +1 2.85959522 +1
H -1.30823943 +1 -1.22018101 +1 -3.26713582 +1
H -1.76828499 +1 0.53618653 +1 -3.36075200 +1
H -2.71775582 +1 -0.60087502 +1 -2.32043912 +1