Accuracy
2-iodonaphthalene
5839 2-Iodonaphthalene
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Geometry predicted using PM7
ΔHf: 56.2 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-Iodonaphthalene
H=56.2 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41174453 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42253710 +1 119.3256543 +1 0.0000000 +0 1 2 0
C 1.37079857 +1 120.2957043 +1 0.0019154 +1 3 1 2
C 1.42228181 +1 119.2965559 +1 -0.0065097 +1 2 1 3
C 1.41804173 +1 120.3862549 +1 -0.0057490 +1 4 3 1
C 1.42302124 +1 119.5242804 +1 179.9986175 +1 1 2 5
C 1.36915594 +1 119.3662793 +1 -0.0016657 +1 7 1 2
C 1.42208807 +1 119.2621255 +1 179.9836562 +1 2 1 3
C 1.41520065 +1 121.8407774 +1 -0.0094056 +1 8 7 1
I 2.11580565 +1 119.6622440 +1 179.9924643 +1 8 7 1
H 1.08900106 +1 118.7701157 +1 -179.9926953 +1 3 1 2
H 1.08903943 +1 120.8007039 +1 179.9999496 +1 4 3 1
H 1.08884884 +1 118.7143616 +1 -179.9966122 +1 5 2 1
H 1.08896052 +1 118.8023363 +1 179.9970933 +1 6 4 3
H 1.09048913 +1 117.9675406 +1 -179.9984969 +1 7 1 2
H 1.09027861 +1 118.6905970 +1 179.9947008 +1 9 2 1
H 1.09048707 +1 120.6889191 +1 -179.9999926 +1 10 8 7