PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-iodonaphthalene
5839 1-Iodonaphthalene
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ΔHf: 55.9 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-Iodonaphthalene
H=55.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41747853 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42350497 +1 117.9101150 +1 0.0000000 +0 1 2 0
C 1.37145646 +1 121.1532482 +1 -0.0009268 +1 3 1 2
C 1.42272620 +1 119.9509302 +1 -0.0064943 +1 2 1 3
C 1.41557138 +1 120.5666397 +1 -0.0093266 +1 4 3 1
C 1.42421676 +1 117.2607398 +1 179.9941610 +1 1 2 5
C 1.37146597 +1 121.9298010 +1 0.0050714 +1 7 1 2
C 1.42218876 +1 120.2867289 +1 179.9680115 +1 2 1 3
C 1.41625764 +1 119.9431399 +1 -0.0129946 +1 8 7 1
I 2.12111454 +1 121.1325936 +1 -179.9870640 +1 7 1 2
H 1.08935035 +1 120.1856982 +1 -179.9898516 +1 3 1 2
H 1.08961711 +1 120.5595664 +1 -179.9977639 +1 4 3 1
H 1.08935771 +1 118.5483220 +1 -179.9906318 +1 5 2 1
H 1.08880747 +1 119.0914632 +1 179.9956762 +1 6 4 3
H 1.09158453 +1 122.5103215 +1 179.9877091 +1 8 7 1
H 1.08987723 +1 118.6890653 +1 179.9870905 +1 9 2 1
H 1.08957603 +1 118.7593637 +1 179.9990031 +1 10 8 7