Accuracy

di-tert-butyl disulfide   2257 Di-tert-butyl disulfide

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    #  Species Formula
  2247 2,3-Dithiabutane (Geo)C2H6S2
  2248 Ethanedithiol-1,2C2H6S2
  2249 2,3-Dithiabutane (Geo)C2H6S2
  2250 Propane-1,3-dithiolC3H8S2
  2251 (C2H5S)2C4H10S2
  2252 1,4-ButanedithiolC4H10S2
  2253 3,6-DithiaoctaneC6H14S2
  2254 Dipropyl disulfideC6H14S2
  2255 Ethyl tert-butyl disulfideC6H14S2
  2256 Isopropyl tert-butyl disulfideC7H16S2
  2257 Di-tert-butyl disulfide C8H18S2
  2258 DibutyldisulfideC8H18S2
  2259 Diphenyl disulfideC12H10S2
  2260 Diisopropyldithiocarbamic acidC7H15NS2
  2261 Dipropyldithiocarbamic acidC7H15NS2
  2262 S2(CN)2C2N2S2
  2263 ThiocyanogenC2N2S2
  2264 Bis-diethylamino disulfideC8H20N2S2
  2265 1,3-Dithiolan-2-oneC3H4OS2
  2266 Li(I)O2S2 (YUBVUM) (Geo)H26LiC21NO2S2
  2267 Li(I)O2S2 (YUBVUM)H26LiC21NO2S2


ΔHf: -47.8 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
Di-tert-butyl disulfide
 H=-47.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52332251 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52408051 +1  110.4822290 +1    0.0000000 +0     2     1     0
  C     1.52887786 +1  110.4869554 +1  122.8060826 +1     2     1     3
  S     1.87632331 +1  111.3484635 +1  114.3255260 +1     2     1     4
  S     1.99260326 +1  111.9705394 +1   67.2987127 +1     5     2     1
  C     1.87529186 +1  112.0739862 +1 -100.3052989 +1     6     5     2
  C     1.52422568 +1  110.1780192 +1  -56.5197927 +1     7     6     5
  C     1.52324775 +1  111.5256997 +1  123.0761833 +1     7     6     8
  C     1.52920401 +1  103.4123302 +1  118.6211285 +1     7     6     9
  H     1.09714566 +1  112.4319075 +1   55.0350306 +1     1     2     3
  H     1.09719378 +1  112.5023728 +1  122.0847088 +1     1     2    11
  H     1.09909608 +1  110.6724795 +1  119.1396516 +1     1     2    12
  H     1.09817228 +1  112.5155564 +1 -177.2754117 +1     3     2     1
  H     1.09795238 +1  112.6121777 +1  121.2270721 +1     3     2    14
  H     1.09797169 +1  110.8558215 +1  119.2692872 +1     3     2    15
  H     1.09806712 +1  112.7023153 +1   57.5072151 +1     4     2     1
  H     1.09862064 +1  112.6638128 +1  121.9717977 +1     4     2    17
  H     1.09868047 +1  110.4355363 +1  118.9348889 +1     4     2    18
  H     1.09820502 +1  112.5049717 +1  -53.8173995 +1     8     7     6
  H     1.09793651 +1  112.6269681 +1  121.2300203 +1     8     7    20
  H     1.09793445 +1  110.8559370 +1  119.2935932 +1     8     7    21
  H     1.09722689 +1  112.4093079 +1  -67.8618258 +1     9     7     6
  H     1.09715074 +1  112.5277567 +1  122.1124762 +1     9     7    23
  H     1.09907158 +1  110.6593615 +1  119.1396740 +1     9     7    24
  H     1.09805304 +1  112.6943122 +1  -61.7558804 +1    10     7     6
  H     1.09861680 +1  112.6600589 +1  121.9381006 +1    10     7    26
  H     1.09852160 +1  110.4535855 +1  118.9378573 +1    10     7    27