PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethyl radical
68 Ethyl radical
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ΔHf: 25.0 kcal/mol, REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
OPEN(1,1) PM7
Ethyl radical
H=25.0 HR=FDRH1969
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.46532424 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09962395 +1 112.4688498 +1 0.0000000 +0 2 1 0
H 1.09948653 +1 112.6099284 +1 121.3983303 +1 2 1 3
H 1.10338468 +1 110.0706322 +1 -119.2647665 +1 2 1 3
H 1.06403269 +1 121.0180143 +1 31.7512508 +1 1 2 3
H 1.06391971 +1 121.0979676 +1 -148.9679085 +1 1 2 3