PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bis-diethylamino disulfide   2265 Bis-diethylamino disulfide

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    #  Species Formula
  2255 Dipropyl disulfideC6H14S2
  2256 Ethyl tert-butyl disulfideC6H14S2
  2257 Isopropyl tert-butyl disulfideC7H16S2
  2258 Di-tert-butyl disulfideC8H18S2
  2259 DibutyldisulfideC8H18S2
  2260 Diphenyl disulfideC12H10S2
  2261 Diisopropyldithiocarbamic acidC7H15NS2
  2262 Dipropyldithiocarbamic acidC7H15NS2
  2263 S2(CN)2C2N2S2
  2264 ThiocyanogenC2N2S2
  2265 Bis-diethylamino disulfide C8H20N2S2
  2266 1,3-Dithiolan-2-oneC3H4OS2
  2267 Li(I)O2S2 (YUBVUM) (Geo)H26LiC21NO2S2
  2268 Li(I)O2S2 (YUBVUM)H26LiC21NO2S2
  2269 Cys-cys (Geo)C6H12N2O3S2
  2270 CYS-CYSC6H12N2O3S2
  2271 Met-met (Geo)C10H20N2O3S2
  2272 Diphenyl disulfoneC12H10O4S2
  2273 FSSFF2S2
  2274 FSSF (Geo)F2S2
  2275 SSF2 (Geo)F2S2


ΔHf: -16.8 kcal/mol,     REF: Reference faulty
  
 PM7
Bis-diethylamino disulfide
 H=-16.8 HR=CP1962
  C    -0.05157804 +1   0.10205745 +1   0.08666482 +1
  C     1.43664185 +1  -0.24437854 +1  -0.05006176 +1
  N     2.33868282 +1   0.89307559 +1  -0.26507306 +1
  S     2.52229448 +1   1.46187933 +1  -1.89367843 +1
  S     1.00267163 +1   2.16754121 +1  -2.87008053 +1
  N     0.61034279 +1   3.84294773 +1  -2.88493465 +1
  C     1.54113450 +1   4.78574951 +1  -3.50658633 +1
  C     2.88158501 +1   5.00086095 +1  -2.79031146 +1
  H     1.01815691 +1   5.76631514 +1  -3.61075964 +1
  H     1.73467347 +1   4.43071098 +1  -4.54985530 +1
  H     1.78481165 +1  -0.76610903 +1   0.87509831 +1
  H     1.57898770 +1  -0.98083737 +1  -0.87641638 +1
  C     2.31350270 +1   1.88804691 +1   0.81818629 +1
  C     3.57810214 +1   2.75399789 +1   0.80338949 +1
  H     2.26563216 +1   1.33463659 +1   1.78783220 +1
  H     1.40397147 +1   2.53073032 +1   0.78608772 +1
  C    -0.26567274 +1   4.37070461 +1  -1.83882287 +1
  C     0.41706936 +1   4.87748987 +1  -0.56213678 +1
  H    -1.01764959 +1   3.58998026 +1  -1.57224009 +1
  H    -0.85277329 +1   5.20714204 +1  -2.29507343 +1
  H    -0.47320829 +1   0.47749845 +1  -0.85253529 +1
  H    -0.22742850 +1   0.86213193 +1   0.85330126 +1
  H    -0.63052867 +1  -0.78560944 +1   0.36380018 +1
  H     3.56310283 +1   4.15392334 +1  -2.93147400 +1
  H     2.75671030 +1   5.14235448 +1  -1.71299535 +1
  H     3.38895555 +1   5.88846844 +1  -3.18359458 +1
  H     3.54049586 +1   3.53257443 +1   0.03407428 +1
  H     4.47077683 +1   2.14290678 +1   0.60418497 +1
  H     3.72492439 +1   3.24689867 +1   1.77015523 +1
  H     0.96861078 +1   5.80708935 +1  -0.74047983 +1
  H     1.12577653 +1   4.14612521 +1  -0.15858610 +1
  H    -0.32541382 +1   5.08132964 +1   0.21791520 +1