PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2,4,6-tribromoaniline
4353 2,4,6-Tribromoaniline
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ΔHf: 38.0 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
2,4,6-Tribromoaniline
H=38.0 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41453870 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.38473521 +1 122.1441079 +1 0.0000000 +0 2 1 0
C 1.39105256 +1 118.7734259 +1 -0.0186997 +1 3 2 1
C 1.39118633 +1 121.5716278 +1 0.0008181 +1 4 3 2
C 1.41483272 +1 116.6018601 +1 0.0100904 +1 1 2 3
N 1.36802026 +1 121.7186671 +1 -179.9765476 +1 1 2 3
Br 1.89074458 +1 119.6423913 +1 -179.9898183 +1 2 1 6
Br 1.89084356 +1 119.6458323 +1 179.9913628 +1 6 1 2
Br 1.89068375 +1 119.2213236 +1 -179.9948773 +1 4 3 2
H 1.09548121 +1 120.6253803 +1 179.9880793 +1 3 2 1
H 1.09546227 +1 120.6168002 +1 -179.9989426 +1 5 4 3
H 0.99775823 +1 121.9776939 +1 -179.9868668 +1 7 1 2
H 0.99775689 +1 121.9776399 +1 -0.0232236 +1 7 1 2