PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-ethyl aniline
536 N-Ethyl aniline
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ΔHf: 13.4 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
N-Ethyl aniline
H=13.4 HR=NIST
C 0.06766717 +1 -0.01599545 +1 -0.22923618 +1
C -0.43384132 +1 1.22531527 +1 0.20018208 +1
C -1.75620630 +1 1.32814631 +1 0.61807001 +1
C -2.59116486 +1 0.21309166 +1 0.62442712 +1
C -2.09647436 +1 -1.01847026 +1 0.19554722 +1
C -0.78040899 +1 -1.14387492 +1 -0.22706037 +1
N 1.35985335 +1 -0.16606102 +1 -0.75351196 +1
C 2.41004598 +1 0.79221086 +1 -0.37932626 +1
C 2.83595634 +1 0.67698108 +1 1.08890006 +1
H 0.19767639 +1 2.10694582 +1 0.19923720 +1
H -2.14142983 +1 2.29401933 +1 0.94481452 +1
H -3.61948599 +1 0.30085804 +1 0.95959174 +1
H -2.74814279 +1 -1.89178516 +1 0.19406094 +1
H -0.40820349 +1 -2.10604642 +1 -0.56314584 +1
H 1.69380737 +1 -1.12270036 +1 -0.80964382 +1
H 3.28104181 +1 0.60962481 +1 -1.05102648 +1
H 2.05884881 +1 1.82461966 +1 -0.60517877 +1
H 1.98510867 +1 0.83899007 +1 1.76351618 +1
H 3.24872165 +1 -0.31140285 +1 1.31614840 +1
H 3.59927207 +1 1.42082735 +1 1.34045369 +1