PM7 Accuracy

s2(cn)2   2265 S2(CN)2

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    #  Species Formula
  2255 1,4-ButanedithiolC4H10S2
  2256 3,6-DithiaoctaneC6H14S2
  2257 Dipropyl disulfideC6H14S2
  2258 Ethyl tert-butyl disulfideC6H14S2
  2259 Isopropyl tert-butyl disulfideC7H16S2
  2260 Di-tert-butyl disulfideC8H18S2
  2261 DibutyldisulfideC8H18S2
  2262 Diphenyl disulfideC12H10S2
  2263 Diisopropyldithiocarbamic acidC7H15NS2
  2264 Dipropyldithiocarbamic acidC7H15NS2
  2265 S2(CN)2 C2N2S2
  2266 ThiocyanogenC2N2S2
  2267 Bis-diethylamino disulfideC8H20N2S2
  2268 1,3-Dithiolan-2-oneC3H4OS2
  2269 Li(I)O2S2 (YUBVUM) (Geo)H26LiC21NO2S2
  2270 Li(I)O2S2 (YUBVUM)H26LiC21NO2S2
  2271 Cys-cys (Geo)C6H12N2O3S2
  2272 CYS-CYSC6H12N2O3S2
  2273 Met-met (Geo)C10H20N2O3S2
  2274 Diphenyl disulfoneC12H10O4S2
  2275 FSSFF2S2


DHf: 82.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.1 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.
  
 SHIFT=2 PM7
S2(CN)2
 H=82.3 HR=C&P1970 I=11.05 IR=LLNBS82
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.99140036  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.69278566  1  107.8868619  1    0.0000000  0     2     1     0
  C     1.69278588  1  107.8450584  1   85.9823192  1     1     2     3
  N     1.15673938  1  177.2656732  1  174.6371750  1     3     2     1
  N     1.15657132  1  177.3138712  1  174.6640922  1     4     1     2