PM7 Accuracy

s-ethyl trifluorothioacetic acid   2210 S-Ethyl trifluorothioacetic acid

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    #  Species Formula
  2200 Sulfur difluoride (Geo)F2S
  2201 Sulfur difluorideF2S
  2202 Thiocarbonyl difluoride (Geo)CF2S
  2203 Thiocarbonyl difluorideCF2S
  2204 Thionyl fluoride (Geo)OF2S
  2205 Thionyl fluorideOF2S
  2206 Sulfuryl fluoride (Geo)O2F2S
  2207 Sulfuryl fluorideO2F2S
  2208 Sulfur trifluorideF3S
  2209 SOF3OF3S
  2210 S-Ethyl trifluorothioacetic acid C4H5OF3S
  2211 Sulfur tetrafluoride (Geo)F4S
  2212 Sulfur tetrafluorideF4S
  2213 Sulfur oxide tetrafluorideOF4S
  2214 Sulfur oxide tetrafluoride (Geo)OF4S
  2215 Sulfur pentafluorideF5S
  2216 Sulfur pentafluoride, anionF5S
  2217 SF5OHHOF5S
  2218 Pentafluoro(isocyanato)sulfur (Geo)CNOF5S
  2219 Sulfur hexafluoride (Geo)F6S
  2220 Sulfur hexafluorideF6S


DHf: -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