PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acridine
578 Acridine
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ΔHf: 65.5 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
Acridine
H=65.46 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.36038628 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.43088388 +1 120.7997135 +1 0.0000000 +0 2 1 0
C 1.36226520 +1 120.7932406 +1 0.0002429 +1 3 2 1
C 1.43164830 +1 120.4632765 +1 -0.0009047 +1 4 3 2
C 1.44038737 +1 119.9246499 +1 0.0090814 +1 1 2 3
N 1.34829467 +1 118.3423733 +1 179.9894015 +1 6 1 2
C 1.34821913 +1 118.9856471 +1 179.9993586 +1 7 6 1
C 1.43216100 +1 122.3520490 +1 -0.0054078 +1 8 7 6
C 1.39637280 +1 123.0141130 +1 -179.9859884 +1 5 4 3
C 1.44059628 +1 118.3466973 +1 179.9962165 +1 8 7 6
C 1.36030535 +1 119.9022480 +1 -179.9964646 +1 11 8 7
C 1.43089897 +1 120.8238110 +1 -0.0035049 +1 12 11 8
C 1.43165627 +1 118.7170637 +1 179.9939907 +1 9 8 7
H 1.09084323 +1 122.6037196 +1 -179.9935684 +1 1 2 3
H 1.08954241 +1 121.0460668 +1 -179.9920250 +1 2 1 6
H 1.08884684 +1 118.0961567 +1 179.9958318 +1 3 2 1
H 1.08907639 +1 121.3890814 +1 179.9968958 +1 4 3 2
H 1.09036087 +1 120.1050923 +1 -0.0093516 +1 10 5 4
H 1.09081316 +1 117.4513128 +1 0.0078366 +1 11 8 7
H 1.08955832 +1 121.0436389 +1 179.9972161 +1 12 11 8
H 1.08881766 +1 118.0896107 +1 179.9998692 +1 13 12 11
H 1.08910773 +1 118.1280266 +1 179.9993158 +1 14 9 8