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

cd(ch3s)2r   5373 Cd(CH3S)2 (Geo)

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    #  Species Formula
  5363 Cd(II)(EDTA)(=)C10H12N2O8Cd
  5364 Cd(II)(EDTA)(=) (Geo)C10H12N2O8Cd
  5365 Methyl cadmium fluoride (Geo)CH3FCd
  5366 Methyl cadmium fluorideCH3FCd
  5367 Cadmium difluorideF2Cd
  5368 Cadmium difluoride (Geo)F2Cd
  5369 Cd(II)F4(=)F4Cd
  5370 Cd(II)F4(=) (Geo)F4Cd
  5371 Cd[N(SiMe3)2]2C12H36N2Si4Cd
  5372 Cd(CH3S)2C2H6S2Cd
  5373 Cd(CH3S)2 (Geo) C2H6S2Cd
  5374 Cd(II)N6 (CDENIC) (Geo)C6H16N6S2Cd
  5375 Cd(II)N6 (CDENIC)C6H16N6S2Cd
  5376 [Cd(CH3S)3](-)C3H9S3Cd
  5377 [Cd(CH3S)3](-) (Geo)C3H9S3Cd
  5378 Cd(NCS)3(SCN) (=) (Geo)C4N4S4Cd
  5379 Methyl cadmium chloride (Geo)CH3ClCd
  5380 Methyl cadmium chlorideCH3ClCd
  5381 Cadmium dichlorideCl2Cd
  5382 Cadmium dichloride (Geo)Cl2Cd
  5383 Cd(II)N2Cl2 (CDPYCL) (Geo)C10H10N2Cl2Cd


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 SHIFT=80 PM7
Cd(CH3S)2
 <Cd-S> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.41504400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.33074011 +1  178.8605252 +1    0.0000000 +0     1     2     0
  C     1.83973505 +1  103.3387326 +1  133.1407615 +1     2     1     3
  C     1.84572196 +1  103.2547215 +1  110.0217756 +1     3     1     4
  H     1.09241451 +1  113.5321048 +1  -44.2539888 +1     4     2     1
  H     1.09427044 +1  111.1516726 +1  123.5613228 +1     4     2     6
  H     1.09765162 +1  106.9554549 +1  117.7069810 +1     4     2     7
  H     1.09346040 +1  114.7528122 +1   20.0484092 +1     5     3     1
  H     1.09566053 +1  109.7176702 +1 -122.5074674 +1     5     3     9
  H     1.09717696 +1  107.6124338 +1 -117.6643878 +1     5     3    10