Accuracy

3h-1,2-benzodithiole-3-thione   2299 3H-1,2-Benzodithiole-3-thione

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    #  Species Formula
  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-thioneC7H4S3
  2299 3H-1,2-Benzodithiole-3-thione C7H4S3
  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
  2309 Hydrogen pentasulfideH2S5


ΔHf: 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