PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethyl formate
1069 Ethyl formate
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ΔHf: -95.2 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
Ethyl formate
H=-95.2 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.24915507 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.20153224 +1 29.9106656 +1 0.0000000 +0 2 1 0
C 1.42917448 +1 92.0643639 +1 -178.9780295 +1 1 2 3
C 1.51873359 +1 110.1401020 +1 77.2763760 +1 4 1 2
H 1.09012990 +1 128.5034643 +1 -179.4801812 +1 3 2 1
H 1.10662037 +1 101.5073996 +1 119.7454420 +1 4 1 5
H 1.10522897 +1 109.2672505 +1 116.3163533 +1 4 1 7
H 1.09991606 +1 111.1832947 +1 -68.0879804 +1 5 4 1
H 1.09697667 +1 111.5013281 +1 119.7594869 +1 5 4 9
H 1.09596608 +1 111.3878256 +1 120.4648535 +1 5 4 10