Accuracy

cd(ii)n2cl2 (cdpycl)   5382 Cd(II)N2Cl2 (CDPYCL)

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    #  Species Formula
  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
  5381 Cd(II)N2Cl2 (CDPYCL) (Geo)C10H10N2Cl2Cd
  5382 Cd(II)N2Cl2 (CDPYCL) C10H10N2Cl2Cd
  5383 Cd(II)S2Cl2 (CTURCD) (Geo)C2H8N4S2Cl2Cd
  5384 Cd(II)S2Cl2 (CTURCD)C2H8N4S2Cl2Cd
  5385 Cd(II)S2N2Cl2 (TCHZCD) (Geo)C2H12N8S2Cl2Cd
  5386 Cd(II)S2N2Cl2 (TCHZCD)C2H12N8S2Cl2Cd
  5387 Cd(II)Cl4(2-) (QNLCDC10) (Geo)Cl4Cd
  5388 Cd(II)Cl4(=)Cl4Cd
  5389 Cd(II)Cl4(=) (Geo)Cl4Cd
  5390 Cd(II)Br.5(H2O)H10O5BrCd
  5391 Cd(II)Br.5(H2O) (Geo)H10O5BrCd
  5392 Cadmium dibromideBr2Cd


ΔHf: -22.7 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.
  
 PM7
Cd(II)N2Cl2 (CDPYCL)
 H=-22.7 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.26991595 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.22624116 +1   99.9561620 +1    0.0000000 +0     1     2     0
  C     2.41588014 +1  150.1513869 +1    6.4411187 +1     3     1     2
  C     1.39242316 +1   90.7877620 +1 -174.2920465 +1     4     3     1
  C     1.39243188 +1  118.9012795 +1    0.0540430 +1     5     4     3
  C     1.35924601 +1  120.9200970 +1 -173.1834665 +1     3     1     4
 Cl     2.26875238 +1   99.9413704 +1  155.3114705 +1     1     3     2
  N     2.22532370 +1   99.6648419 +1  104.1338190 +1     1     2     3
  C     1.35912198 +1  121.0059492 +1  164.3680320 +1     9     1     2
  C     1.35923856 +1  120.9736036 +1 -177.1387438 +1     9     1    10
  C     1.39731173 +1  122.4165184 +1 -177.6224880 +1    10     9     1
  C     1.39742026 +1  122.4233683 +1  177.6592246 +1    11     9     1
  C     1.39237611 +1  119.1706321 +1    0.1419887 +1    12    10     9
  H     2.10427150 +1   93.1026301 +1  177.6820708 +1     3     1     7
  H     1.08829425 +1  148.2894270 +1  179.6045820 +1     4     3     5
  H     1.09056395 +1  120.5689079 +1  179.8415315 +1     5     4     6
  H     1.08830121 +1  120.9106275 +1  179.7225217 +1     6     5     4
  H     1.10488748 +1  116.8659064 +1   -2.8014135 +1     7     3     1
  H     1.10501626 +1  116.8740012 +1  179.5698538 +1    10     9    12
  H     1.10481250 +1  116.9017458 +1 -179.5252860 +1    11     9    13
  H     1.08845056 +1  119.9188699 +1  179.7173592 +1    12    10    14
  H     1.08839283 +1  119.9291992 +1 -179.9093266 +1    13    11     9
  H     1.09040883 +1  120.5714192 +1  179.8595922 +1    14    12    10
  C     1.10494666 +1   35.1708233 +1 -177.6256187 +1    15     3     1