PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-chloronaphthalene
2360 1-Chloronaphthalene
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ΔHf: 27.5 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
1-Chloronaphthalene
H=27.5 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37146923 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41691746 +1 120.4589790 +1 0.0000000 +0 2 1 0
C 1.37068293 +1 120.2844013 +1 0.0082399 +1 3 2 1
C 1.42210529 +1 120.4272412 +1 0.0078615 +1 4 3 2
C 1.42110995 +1 120.3679927 +1 0.0021589 +1 1 2 3
C 1.41828463 +1 123.7005071 +1 179.9979210 +1 6 1 2
C 1.36741746 +1 123.2244999 +1 179.9889898 +1 7 6 1
C 1.41705758 +1 118.8190584 +1 -0.0072005 +1 8 7 6
C 1.42328225 +1 120.9645932 +1 -179.9957863 +1 5 4 3
Cl 1.71190840 +1 118.8278302 +1 -0.0033141 +1 7 6 1
H 1.09055481 +1 120.0978535 +1 179.9967248 +1 1 2 3
H 1.08928516 +1 120.6508313 +1 179.9964880 +1 2 1 6
H 1.08920223 +1 118.8635572 +1 -179.9949313 +1 3 2 1
H 1.08883479 +1 120.9198367 +1 179.9984735 +1 4 3 2
H 1.09019566 +1 121.9702201 +1 -179.9990919 +1 8 7 6
H 1.08952365 +1 118.7397386 +1 179.9988974 +1 9 8 7
H 1.08957088 +1 118.5053406 +1 -0.0021135 +1 10 5 4