Accuracy

4,5-tetramethylene-1,3-dithiol-2-thione   2300 4,5-Tetramethylene-1,3-dithiol-2-thione

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    #  Species Formula
  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-thioneC7H4S3
  2300 4,5-Tetramethylene-1,3-dithiol-2-thione C7H8S3
  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
  2310 S6 (Geo)S6


ΔHf: 29.5 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
4,5-Tetramethylene-1,3-dithiol-2-thione
 H=29.54 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54028182 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53259890 +1  110.6365790 +1    0.0000000 +0     2     1     0
  C     1.54006201 +1  110.6952522 +1   62.5063832 +1     3     2     1
  C     1.48468662 +1  110.5644070 +1  -45.7090791 +1     4     3     2
  C     1.34369583 +1  124.3162853 +1   16.2446131 +1     5     4     3
  S     1.76468154 +1  116.9166336 +1  179.4324623 +1     6     5     4
  C     1.77514064 +1   97.1378578 +1   -0.1800883 +1     7     6     5
  S     1.77492016 +1  111.9121732 +1   -0.0062197 +1     8     7     6
  S     1.59633730 +1  124.0344931 +1  179.9836247 +1     8     7     9
  H     1.11395019 +1  109.5016464 +1   75.4714440 +1     1     2     3
  H     1.11134595 +1  109.1447971 +1  114.9867275 +1     1     2    11
  H     1.10510145 +1  109.9574510 +1 -122.2392885 +1     2     1     3
  H     1.10714083 +1  109.7117796 +1 -116.3114169 +1     2     1    13
  H     1.10711192 +1  109.8546364 +1 -121.4132855 +1     3     2     4
  H     1.10528493 +1  110.3767939 +1 -116.6412840 +1     3     2    15
  H     1.11124561 +1  109.1918419 +1 -123.7270280 +1     4     3     5
  H     1.11421634 +1  109.4581805 +1 -115.0412977 +1     4     3    17