PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexafluoropentanedioic acid, dimethyl ester
1637 Hexafluoropentanedioic acid, dimethyl ester
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ΔHf: -460.5 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
Hexafluoropentanedioic acid, dimethyl ester
H=-460.47 HR=NIST
C 2.05813656 +1 -0.21873010 +1 0.31929599 +1
O 2.82365854 +1 0.12913693 +1 -0.83742229 +1
C 2.26625202 +1 1.03703200 +1 -1.65371631 +1
C 3.25234585 +1 1.29553951 +1 -2.81194025 +1
C 3.26895849 +1 0.15399304 +1 -3.88198571 +1
C 4.25836275 +1 -1.01796756 +1 -3.57141235 +1
C 5.71216092 +1 -0.70736323 +1 -3.98361957 +1
O 6.31593213 +1 -0.10130063 +1 -2.94915354 +1
C 7.68891787 +1 0.24487704 +1 -3.14988919 +1
O 1.20059305 +1 1.56203782 +1 -1.53158322 +1
O 6.18877491 +1 -0.96759139 +1 -5.04761191 +1
F 4.48356330 +1 1.49604177 +1 -2.33845639 +1
F 2.93593643 +1 2.45363277 +1 -3.39436872 +1
F 3.55900269 +1 0.66164505 +1 -5.08194548 +1
F 2.03117689 +1 -0.32516559 +1 -4.02595082 +1
F 3.85919695 +1 -2.12124555 +1 -4.20794411 +1
F 4.19143147 +1 -1.34746985 +1 -2.28098614 +1
H 2.59942207 +1 -1.09129172 +1 0.70792193 +1
H 1.02881497 +1 -0.47600741 +1 0.04767110 +1
H 2.07752289 +1 0.61356748 +1 1.03027325 +1
H 7.92306155 +1 0.81556860 +1 -2.24176787 +1
H 7.80930057 +1 0.86003322 +1 -4.04812691 +1
H 8.29225109 +1 -0.66592081 +1 -3.21686730 +1