PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sime4f, anion
1912 SiMe4F, anion
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ΔHf: -147.5 kcal/mol, REF: J. W. Larson, T. B. McMahon, J. Am. Chem. Soc., 107, 766 (1985).
CHARGE=-1 PM7
SiMe4F, anion
H=-147.5 HR=LM1985
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.94833170 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09281275 +1 111.7387787 +1 0.0000000 +0 2 1 0
H 1.09571367 +1 107.8821010 +1 -119.5848574 +1 2 1 3
H 1.09337277 +1 109.7940954 +1 121.4645692 +1 2 1 3
C 2.03794160 +1 91.6136708 +1 -177.6977970 +1 1 2 3
H 1.08546314 +1 109.5978040 +1 54.4387159 +1 6 1 2
H 1.08729396 +1 109.0165082 +1 174.6845015 +1 6 1 2
H 1.08733443 +1 109.0587448 +1 -65.7578388 +1 6 1 2
C 2.03458045 +1 93.1672196 +1 10.2773959 +1 1 2 3
H 1.08770700 +1 109.0419529 +1 65.8296709 +1 10 1 2
H 1.08771783 +1 108.9110668 +1 -174.6887828 +1 10 1 2
H 1.08582691 +1 109.6848588 +1 -54.4790084 +1 10 1 2
C 1.94414951 +1 112.5220560 +1 -84.4933029 +1 1 2 3
H 1.09391377 +1 110.2796397 +1 -49.2257368 +1 14 1 2
H 1.09598681 +1 107.7571010 +1 -168.2962183 +1 14 1 2
H 1.09340798 +1 111.4068233 +1 72.1003593 +1 14 1 2
F 1.64841978 +1 124.8074488 +1 96.8425445 +1 1 2 3