PM7 Accuracy

1,3-dithiolan-2-thione   2298 1,3-Dithiolan-2-thione

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    #  Species Formula
  2288 SiC2S2 (GUMZUJ)C8H10SiS2
  2289 SiO2S2N (EBUPIA) (Geo)C17H17NO4SiS2
  2290 SiO2S2N (EBUPIA)C17H17NO4SiS2
  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-thione C3H4S3
  2299 TrimethylthioboraneH9BC3S3
  2300 TriethylthioboraneH15BC6S3
  2301 1,3-Benzodithiole-2-thioneC7H4S3
  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


DHf: 22.7 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 8.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
1,3-Dithiolan-2-thione
 HR=JANAF86 H=22.7 I=8.40 IR=LLNBS82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.77064936  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.84143931  1   98.7241769  1    0.0000000  0     2     1     0
  C     1.51338353  1  110.5303618  1  -24.0560073  1     3     2     1
  S     1.84142483  1  110.5535858  1   31.4384201  1     4     3     2
  S     1.59431249  1  123.5154408  1 -172.4939239  1     1     2     3
  H     1.10844641  1  108.8485329  1   99.0788575  1     3     2     1
  H     1.10801569  1  107.9295930  1 -146.2766638  1     3     2     1
  H     1.10795965  1  111.5664042  1  151.4580883  1     4     3     2
  H     1.10836056  1  111.7922576  1  -89.9055650  1     4     3     2