Accuracy

1,3-benzodithiole-2-thione   2298 1,3-Benzodithiole-2-thione

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    #  Species Formula
  2288 Si2C4S2 (CADLOI) (Geo)C4H12Si2S2
  2289 Si2C4S2 (CADLOI)C4H12Si2S2
  2290 Sulfur, trimer (open chain)S3
  2291 HS3HS3
  2292 Hydrogen trisulfideHS3
  2293 2,3,4-TrithiapentaneC2H6S3
  2294 1,3-Dithiol-2-thioneC3H2S3
  2295 1,3-Dithiolan-2-thioneC3H4S3
  2296 TrimethylthioboraneH9BC3S3
  2297 TriethylthioboraneH15BC6S3
  2298 1,3-Benzodithiole-2-thione C7H4S3
  2299 3H-1,2-Benzodithiole-3-thioneC7H4S3
  2300 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  2301 Tri-n-propylthioboraneH21BC9S3
  2302 TriphenylthioboraneH15BC18S3
  2303 Sulfur tetramerS4
  2304 Sulfur, tetramer (open chain)S4
  2305 Hydrogen tetrasulfideH2S4
  2306 SiS4 (DANCUQ) (Geo)C4H8SiS4
  2307 SiS4 (DANCUQ)C4H8SiS4
  2308 Sulfur, pentamerS5


ΔHf: 57.8 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
1,3-Benzodithiole-2-thione
 H=57.84 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39406008 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39661178 +1  120.5624663 +1    0.0000000 +0     2     1     0
  C     1.39401951 +1  120.5950747 +1    0.0188235 +1     3     2     1
  C     1.39102298 +1  118.7676669 +1   -0.0048943 +1     4     3     2
  C     1.39705868 +1  120.6465339 +1   -0.0183882 +1     5     4     3
  S     1.76357162 +1  116.3298894 +1 -179.9964943 +1     6     5     4
  C     1.77789549 +1   97.3023798 +1    0.0027221 +1     7     6     5
  S     1.77799552 +1  112.7489915 +1    0.0130647 +1     8     7     6
  S     1.59316250 +1  123.6208778 +1 -179.9938955 +1     8     7     9
  H     1.09059746 +1  119.8501109 +1  179.9803641 +1     1     2     3
  H     1.08990196 +1  119.6841057 +1 -179.9876303 +1     2     1     3
  H     1.08999607 +1  119.6975962 +1  179.9952171 +1     3     2     4
  H     1.09060425 +1  119.8716154 +1  179.9975338 +1     4     3     5