PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloro-4-ethylbenzene
2359 1-Chloro-4-ethylbenzene
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ΔHf: -0.9 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
1-Chloro-4-ethylbenzene
H=-0.9 HR=WHSMC03
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39563902 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39516952 +1 120.5238435 +1 0.0000000 +0 2 1 0
C 1.38648181 +1 118.4815636 +1 -0.0239494 +1 3 2 1
C 1.38950892 +1 122.5251534 +1 -0.0173655 +1 4 3 2
C 1.39084471 +1 118.2943546 +1 0.0123270 +1 5 4 3
C 1.49959724 +1 122.9291909 +1 -179.9837489 +1 1 2 3
C 1.52736563 +1 115.0791616 +1 -0.0646357 +1 7 1 2
Cl 1.71217217 +1 118.7907584 +1 179.9967721 +1 4 3 5
H 1.08899240 +1 120.4893244 +1 179.9845411 +1 2 1 3
H 1.08969900 +1 120.2000683 +1 -179.9992673 +1 3 2 4
H 1.08967098 +1 121.2114600 +1 -179.9963529 +1 5 4 6
H 1.08900713 +1 119.5409621 +1 -179.9973853 +1 6 5 4
H 1.11314892 +1 108.9724245 +1 122.8536429 +1 7 1 8
H 1.11320322 +1 108.9584258 +1 114.3433140 +1 7 1 14
H 1.09658050 +1 111.6436815 +1 -60.4855522 +1 8 7 1
H 1.09658746 +1 111.6542143 +1 121.0290485 +1 8 7 16
H 1.09678351 +1 110.9374233 +1 119.4851220 +1 8 7 17