PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-chloronaphthalene
2361 2-Chloronaphthalene
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ΔHf: 32.8 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-Chloronaphthalene
H=32.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37090832 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41791014 +1 120.3582620 +1 0.0000000 +0 2 1 0
C 1.37097052 +1 120.3737765 +1 -0.0008508 +1 3 2 1
C 1.42217159 +1 120.4026097 +1 0.0005884 +1 4 3 2
C 1.42206744 +1 120.3138152 +1 0.0041139 +1 1 2 3
C 1.42289014 +1 121.2147032 +1 179.9939662 +1 6 1 2
C 1.36614104 +1 118.5954942 +1 179.9999458 +1 7 6 1
C 1.41168942 +1 123.2167982 +1 -0.0067123 +1 8 7 6
C 1.42384323 +1 121.2064127 +1 179.9926165 +1 5 4 3
Cl 1.71175246 +1 119.1545596 +1 179.9993678 +1 8 7 6
H 1.08897264 +1 120.9527845 +1 -179.9995871 +1 1 2 3
H 1.08904375 +1 120.8038978 +1 179.9998193 +1 2 1 6
H 1.08885108 +1 118.8043563 +1 179.9978631 +1 3 2 1
H 1.08895610 +1 120.8827297 +1 -179.9977575 +1 4 3 2
H 1.08968419 +1 119.2063219 +1 0.0013016 +1 7 6 1
H 1.09007055 +1 120.1402840 +1 -179.9970191 +1 9 8 7
H 1.08998019 +1 118.6872537 +1 0.0019721 +1 10 5 4