PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fluorodinitrophenylmethane
1528 Fluorodinitrophenylmethane
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ΔHf: -16.9 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
Fluorodinitrophenylmethane
H=-16.9 HR=NIST
C -0.00641243 +1 0.01115305 +1 0.00479286 +1
C 1.38837955 +1 -0.05046978 +1 0.09102086 +1
C 2.13774376 +1 1.12242632 +1 0.08573266 +1
C 1.49924683 +1 2.35810346 +1 -0.00593380 +1
C 0.10928671 +1 2.41897285 +1 -0.09326701 +1
C -0.64742871 +1 1.24912279 +1 -0.08857285 +1
C -0.79771989 +1 -1.25897605 +1 0.01620957 +1
N -0.40762566 +1 -2.18187300 +1 -1.15770709 +1
F -2.11443862 +1 -1.06874961 +1 -0.10353712 +1
N -0.61269905 +1 -2.04373697 +1 1.33390366 +1
O -1.62697810 +1 -2.33759755 +1 1.92220773 +1
O 0.52358183 +1 -2.28546800 +1 1.66993186 +1
O 0.71144885 +1 -2.64243867 +1 -1.13767949 +1
O -1.25260961 +1 -2.35002501 +1 -2.00445328 +1
H 1.90055657 +1 -1.01743503 +1 0.16564763 +1
H 3.22463626 +1 1.07223260 +1 0.15434220 +1
H 2.08634818 +1 3.27703292 +1 -0.00926601 +1
H -0.39023327 +1 3.38465907 +1 -0.16549167 +1
H -1.73351864 +1 1.33058158 +1 -0.15806691 +1