PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
chlorobenzene
2356 Chlorobenzene
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ΔHf: 13.0 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
Chlorobenzene
H=13.01 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39438747 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39489071 +1 120.2130287 +1 0.0000000 +0 2 1 0
C 1.39489739 +1 120.3640457 +1 -0.0094005 +1 3 2 1
C 1.39444404 +1 120.2136742 +1 -0.0143764 +1 4 3 2
C 1.38864750 +1 118.1509957 +1 0.0167012 +1 5 4 3
Cl 1.71246000 +1 118.5575098 +1 -179.9800605 +1 6 5 4
H 1.08926654 +1 120.5789791 +1 -179.9948267 +1 1 2 3
H 1.08942002 +1 119.7483254 +1 179.9938094 +1 2 1 3
H 1.08896051 +1 119.8341634 +1 179.9953194 +1 3 2 4
H 1.08938968 +1 120.0030362 +1 179.9942629 +1 4 3 5
H 1.08931769 +1 120.5837966 +1 -179.9935861 +1 5 4 6