PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

s-ethyl trifluorothioacetic acid   2208 S-Ethyl trifluorothioacetic acid

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    #  Species Formula
  2198 Sulfur difluoride (Geo)F2S
  2199 Sulfur difluorideF2S
  2200 Thiocarbonyl difluoride (Geo)CF2S
  2201 Thiocarbonyl difluorideCF2S
  2202 Thionyl fluoride (Geo)OF2S
  2203 Thionyl fluorideOF2S
  2204 Sulfuryl fluoride (Geo)O2F2S
  2205 Sulfuryl fluorideO2F2S
  2206 Sulfur trifluorideF3S
  2207 SOF3OF3S
  2208 S-Ethyl trifluorothioacetic acid C4H5OF3S
  2209 Sulfur tetrafluoride (Geo)F4S
  2210 Sulfur tetrafluorideF4S
  2211 Sulfur oxide tetrafluorideOF4S
  2212 Sulfur oxide tetrafluoride (Geo)OF4S
  2213 Sulfur pentafluorideF5S
  2214 Sulfur pentafluoride, anionF5S
  2215 SF5OHHOF5S
  2216 Pentafluoro(isocyanato)sulfur (Geo)CNOF5S
  2217 Sulfur hexafluoride (Geo)F6S
  2218 Sulfur hexafluorideF6S


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