Accuracy
fluorocyclohexane
1504 Fluorocyclohexane
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Geometry predicted using PM7
ΔHf: -80.5 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
Fluorocyclohexane
H=-80.45 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53854537 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53851569 +1 111.4058345 +1 0.0000000 +0 2 1 0
C 1.53237701 +1 109.3496755 +1 -58.2895621 +1 3 2 1
C 1.53444645 +1 110.7623124 +1 57.1360429 +1 4 3 2
C 1.53237416 +1 109.2770732 +1 58.5119367 +1 1 2 3
H 1.10567566 +1 110.5779797 +1 121.8734886 +1 1 2 6
H 1.10699224 +1 110.4879946 +1 116.7382034 +1 1 2 7
H 1.12229871 +1 110.4435207 +1 -123.1928261 +1 2 1 3
F 1.36072857 +1 108.4158412 +1 -117.6185728 +1 2 1 9
H 1.10577250 +1 110.5922744 +1 -121.9257019 +1 3 2 4
H 1.10721180 +1 110.4670997 +1 -116.6941063 +1 3 2 11
H 1.10586764 +1 109.9346460 +1 121.8850372 +1 4 3 5
H 1.10642734 +1 110.1148538 +1 116.1942216 +1 4 3 13
H 1.10510990 +1 110.0639702 +1 -179.3677250 +1 5 4 3
H 1.10618156 +1 109.9693320 +1 -116.4613210 +1 5 4 15
H 1.10583962 +1 109.9343711 +1 -179.2500293 +1 6 1 2
H 1.10612728 +1 110.2520967 +1 -116.3711107 +1 6 1 17