PM7 Accuracy

1,3-benzodithiole-2-thione   2301 1,3-Benzodithiole-2-thione

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    #  Species Formula
  2291 Si2C4S2 (CADLOI) (Geo)C4H12Si2S2
  2292 Si2C4S2 (CADLOI)C4H12Si2S2
  2293 Sulfur, trimer (open chain)S3
  2294 HS3HS3
  2295 Hydrogen trisulfideHS3
  2296 2,3,4-TrithiapentaneC2H6S3
  2297 1,3-Dithiol-2-thioneC3H2S3
  2298 1,3-Dithiolan-2-thioneC3H4S3
  2299 TrimethylthioboraneH9BC3S3
  2300 TriethylthioboraneH15BC6S3
  2301 1,3-Benzodithiole-2-thione C7H4S3
  2302 3H-1,2-Benzodithiole-3-thioneC7H4S3
  2303 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  2304 Tri-n-propylthioboraneH21BC9S3
  2305 TriphenylthioboraneH15BC18S3
  2306 Sulfur tetramerS4
  2307 Sulfur, tetramer (open chain)S4
  2308 Hydrogen tetrasulfideH2S4
  2309 SiS4 (DANCUQ) (Geo)C4H8SiS4
  2310 SiS4 (DANCUQ)C4H8SiS4
  2311 Sulfur, pentamerS5


DHf: 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