Accuracy

sis4 (dancuq)   2307 SiS4 (DANCUQ)

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    #  Species Formula
  2297 TriethylthioboraneH15BC6S3
  2298 1,3-Benzodithiole-2-thioneC7H4S3
  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
  2309 Hydrogen pentasulfideH2S5
  2310 S6 (Geo)S6
  2311 Sulfur, hexamerS6
  2312 SiS3C (MSISUL10) (Geo)C4H12Si4S6
  2313 SiS3C (MSISUL10)C4H12Si4S6
  2314 S8S8
  2315 S8 (Geo)S8
  2316 Chlorine, cation 3P(u)Cl
  2317 Chlorine, cationCl


ΔHf: -58.9 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
SiS4 (DANCUQ)
 H=-58.9 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.11475376 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.11413584 +1  110.8382445 +1    0.0000000 +0     1     2     0
  C     1.85928635 +1   99.0759419 +1 -135.2983453 +1     2     1     3
  C     1.85926001 +1   99.0283447 +1 -135.5387122 +1     3     1     2
  H     1.11010856 +1  108.9890130 +1  -92.1674452 +1     4     2     1
  H     1.11062991 +1  105.9426378 +1 -113.4663472 +1     4     2     6
  H     1.11017241 +1  109.0112274 +1  -92.0485811 +1     5     3     1
  H     1.11052793 +1  105.9606867 +1 -113.4995287 +1     5     3     8
  S     2.11486765 +1  100.4710232 +1  124.9923077 +1     1     2     3
  S     2.11474790 +1  117.6352060 +1  120.1677521 +1     1     2    10
  C     1.51675235 +1  113.1145665 +1 -121.4851038 +1     4     2     7
  C     1.51697661 +1  113.1042543 +1 -121.4923481 +1     5     3     9
  H     1.11008367 +1  111.8112129 +1   78.7946180 +1    12     4     2
  H     1.11069139 +1  110.6524639 +1  117.6461228 +1    12     4    14
  H     1.11010314 +1  111.7939672 +1   78.8233490 +1    13     5     3
  H     1.11070570 +1  110.6325142 +1  117.5918158 +1    13     5    16