Accuracy
s-ethyl trifluorothioacetic acid
2207 S-Ethyl trifluorothioacetic acid
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Geometry predicted using PM7
ΔHf: -194.9 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
S-Ethyl trifluorothioacetic acid
H=-194.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.55189296 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 1.77427299 +1 114.8914726 +1 0.0000000 +0 2 1 0
C 1.83854405 +1 101.1042560 +1 -179.3978095 +1 3 2 1
C 1.51638096 +1 108.6459128 +1 -179.9283792 +1 4 3 2
F 1.32787758 +1 111.7335702 +1 -171.3170860 +1 1 2 3
F 1.32896936 +1 113.0713714 +1 69.5839293 +1 1 2 3
F 1.32859383 +1 114.3093402 +1 -51.6504540 +1 1 2 3
O 1.19446389 +1 119.0621473 +1 9.0509042 +1 2 1 6
H 1.10834809 +1 109.8187875 +1 58.2112838 +1 4 3 2
H 1.10833327 +1 109.8411154 +1 -58.0389424 +1 4 3 2
H 1.10134360 +1 110.4357562 +1 -179.8136608 +1 5 4 3
H 1.09934131 +1 112.9413907 +1 61.3397585 +1 5 4 3
H 1.09933207 +1 112.9439421 +1 -60.9821411 +1 5 4 3