PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fluorene
331 Fluorene
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ΔHf: 41.8 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
Fluorene
H=41.826 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.40117713 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39214684 +1 120.9661704 +1 0.0000000 +0 2 1 0
C 1.40002241 +1 120.8593596 +1 0.0186211 +1 3 2 1
C 1.38331441 +1 118.3981876 +1 -0.0094272 +1 4 3 2
C 1.38029892 +1 118.3345772 +1 -0.0099055 +1 1 2 3
C 1.46016937 +1 130.9345964 +1 179.9824985 +1 5 4 3
C 1.41941733 +1 108.4325743 +1 -179.9963608 +1 7 5 4
C 1.38033759 +1 120.8064985 +1 179.9900413 +1 8 7 5
C 1.40126518 +1 118.3050899 +1 0.0042107 +1 9 8 7
C 1.39209921 +1 120.9900212 +1 0.0013434 +1 10 9 8
C 1.38329406 +1 130.9117188 +1 -0.0032833 +1 7 5 4
C 1.50735075 +1 129.0680217 +1 179.9936607 +1 6 1 2
H 1.08591823 +1 120.4541620 +1 179.9894355 +1 1 2 3
H 1.08841476 +1 119.2805643 +1 179.9943121 +1 2 1 6
H 1.08816035 +1 119.7803844 +1 -179.9878422 +1 3 2 1
H 1.08667958 +1 120.6552808 +1 179.9902340 +1 4 3 2
H 1.08587156 +1 121.2384610 +1 -179.9953116 +1 9 8 7
H 1.08844693 +1 119.2641389 +1 179.9995908 +1 10 9 8
H 1.08817458 +1 119.7829863 +1 179.9976044 +1 11 10 9
H 1.08665043 +1 120.9534248 +1 0.0101638 +1 12 7 5
H 1.10684465 +1 111.8994762 +1 59.6874564 +1 13 6 1
H 1.10685965 +1 111.8854840 +1 -59.7744136 +1 13 6 1