Accuracy

cd(ch3s)2   5370 Cd(CH3S)2

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5360 Cd(II)O4N2 (BUNVUB10)C6H16N2O6Cd
  5361 Cd(II)(EDTA)(=)C10H12N2O8Cd
  5362 Cd(II)(EDTA)(=) (Geo)C10H12N2O8Cd
  5363 Methyl cadmium fluoride (Geo)CH3FCd
  5364 Methyl cadmium fluorideCH3FCd
  5365 Cadmium difluorideF2Cd
  5366 Cadmium difluoride (Geo)F2Cd
  5367 Cd(II)F4(=)F4Cd
  5368 Cd(II)F4(=) (Geo)F4Cd
  5369 Cd[N(SiMe3)2]2C12H36N2Si4Cd
  5370 Cd(CH3S)2 C2H6S2Cd
  5371 Cd(CH3S)2 (Geo)C2H6S2Cd
  5372 Cd(II)N6 (CDENIC) (Geo)C6H16N6S2Cd
  5373 Cd(II)N6 (CDENIC)C6H16N6S2Cd
  5374 [Cd(CH3S)3](-)C3H9S3Cd
  5375 [Cd(CH3S)3](-) (Geo)C3H9S3Cd
  5376 Cd(NCS)3(SCN) (=) (Geo)C4N4S4Cd
  5377 Methyl cadmium chloride (Geo)CH3ClCd
  5378 Methyl cadmium chlorideCH3ClCd
  5379 Cadmium dichlorideCl2Cd
  5380 Cadmium dichloride (Geo)Cl2Cd


ΔHf: -5.4 kcal/mol,     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
 H=-5.4 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.33946306 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.33751657 +1  178.9258885 +1    0.0000000 +0     1     2     0
  C     1.84416014 +1  103.6836999 +1  133.2237328 +1     2     1     3
  C     1.84548482 +1  103.3176269 +1  110.5134335 +1     3     1     4
  H     1.09340315 +1  113.5990439 +1  -43.6401659 +1     4     2     1
  H     1.09490962 +1  111.1155842 +1  123.5391642 +1     4     2     6
  H     1.09771200 +1  106.9232284 +1  117.7650450 +1     4     2     7
  H     1.09334915 +1  114.6152109 +1   20.4608198 +1     5     3     1
  H     1.09564270 +1  109.6719335 +1 -122.4236222 +1     5     3     9
  H     1.09707580 +1  107.5741343 +1 -117.7276417 +1     5     3    10