PM7 Accuracy

3h-1,2-benzodithiole-3-thione   2302 3H-1,2-Benzodithiole-3-thione

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    #  Species Formula
  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-thioneC7H4S3
  2302 3H-1,2-Benzodithiole-3-thione C7H4S3
  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
  2312 Hydrogen pentasulfideH2S5


DHf: 60.0 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
3H-1,2-Benzodithiole-3-thione
 H=60 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39134871  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39583999  1  120.4702986  1    0.0000000  0     2     1     0
  C     1.39359963  1  120.3092312  1    0.0302272  1     3     2     1
  C     1.38995700  1  118.9332391  1    0.0268021  1     4     3     2
  C     1.40726784  1  121.6752845  1   -0.0034936  1     5     4     3
  S     2.69017356  1   80.8650355  1  179.9812941  1     6     5     4
  C     1.45250410  1  118.6224047  1   -0.0095557  1     6     5     7
  S     1.76149909  1  121.7189374  1  179.9974526  1     5     4     6
  S     1.60010739  1  127.4645994  1 -179.9939956  1     8     6     5
  H     1.09350685  1  119.4263905  1  179.9910239  1     1     2     3
  H     1.09013107  1  119.7289888  1 -179.9941118  1     2     1     3
  H     1.09069128  1  119.8654356  1  179.9973266  1     3     2     4
  H     1.09082063  1  119.7031361  1 -179.9956076  1     4     3     5