Accuracy

Thiocyanogen   2263 Thiocyanogen

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    #  Species Formula
  2253 3,6-DithiaoctaneC6H14S2
  2254 Dipropyl disulfideC6H14S2
  2255 Ethyl tert-butyl disulfideC6H14S2
  2256 Isopropyl tert-butyl disulfideC7H16S2
  2257 Di-tert-butyl disulfideC8H18S2
  2258 DibutyldisulfideC8H18S2
  2259 Diphenyl disulfideC12H10S2
  2260 Diisopropyldithiocarbamic acidC7H15NS2
  2261 Dipropyldithiocarbamic acidC7H15NS2
  2262 S2(CN)2C2N2S2
  2263 Thiocyanogen C2N2S2
  2264 Bis-diethylamino disulfideC8H20N2S2
  2265 1,3-Dithiolan-2-oneC3H4OS2
  2266 Li(I)O2S2 (YUBVUM) (Geo)H26LiC21NO2S2
  2267 Li(I)O2S2 (YUBVUM)H26LiC21NO2S2
  2268 Cys-cys (Geo)C6H12N2O3S2
  2269 CYS-CYSC6H12N2O3S2
  2270 Met-met (Geo)C10H20N2O3S2
  2271 Diphenyl disulfoneC12H10O4S2
  2272 FSSFF2S2
  2273 FSSF (Geo)F2S2


ΔHf: 82.3 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
Thiocyanogen
 H=82.3 HR=NIST
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54138586 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.21205013 +1  171.9362201 +1    0.0000000 +0     2     1     0
  S     1.70701090 +1  148.5471880 +1 -179.8526323 +1     3     2     1
  C     1.69879611 +1  104.6269217 +1    3.1820126 +1     4     3     2
  N     1.15730841 +1  144.1199096 +1 -179.9891288 +1     5     3     4