PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-chloro-4-methylaniline
2365 3-Chloro-4-methylaniline
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ΔHf: 4.0 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
3-Chloro-4-methylaniline
H=4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.40990026 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38749118 +1 119.9852856 +1 0.0000000 +0 2 1 0
C 1.40023026 +1 121.1965792 +1 0.4349848 +1 3 2 1
C 1.39184840 +1 117.3351282 +1 -0.1872390 +1 4 3 2
C 1.40761858 +1 119.8248719 +1 -0.4723457 +1 1 2 3
N 1.38975962 +1 120.1318013 +1 176.4594426 +1 1 2 3
Cl 1.71527199 +1 119.1188603 +1 179.9759191 +1 5 4 3
C 1.48778199 +1 120.8647792 +1 179.9084249 +1 4 3 2
H 1.08578752 +1 119.9316149 +1 -179.8324499 +1 2 1 6
H 1.09062597 +1 119.4904671 +1 -179.6896847 +1 3 2 1
H 1.08625880 +1 120.5739095 +1 179.7645717 +1 6 1 2
H 0.99778035 +1 119.0766974 +1 167.6929068 +1 7 1 2
H 0.99741253 +1 119.0640458 +1 16.8774851 +1 7 1 2
H 1.10168832 +1 111.5401158 +1 119.7726922 +1 9 4 3
H 1.09810022 +1 112.5690999 +1 -0.3833945 +1 9 4 3
H 1.10157408 +1 111.5969658 +1 -120.5777399 +1 9 4 3