Accuracy

cd(ii)n2c2 (lajmoy)   5344 Cd(II)N2C2 (LAJMOY)

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    #  Species Formula
  5334 Cadmium, cationCd
  5335 Cadmium 1P(u) 5s(1)5p(1)Cd
  5336 Cadmium 3P(u) 5s(1)5p(1)Cd
  5337 Cadmium, atomCd
  5338 Methyl cadmiumCH3Cd
  5339 Dimethyl cadmium, cationC2H6Cd
  5340 Dimethylcadmium (Geo)C2H6Cd
  5341 Dimethyl cadmiumC2H6Cd
  5342 Diethyl cadmiumC4H10Cd
  5343 Cd(II)N2C2 (LAJMOY) (Geo)C8H22N2Cd
  5344 Cd(II)N2C2 (LAJMOY) C8H22N2Cd
  5345 Cd(II)(CN)3(-)C3N3Cd
  5346 Cd(II)(CN)3(-) (Geo)C3N3Cd
  5347 Cd(II)(CN)4(=)C4N4Cd
  5348 Cd(II)(CN)4(=) (Geo)C4N4Cd
  5349 Cd(II)(NH3)6H18N6Cd
  5350 Cd(II)(NH3)6 (Geo)H18N6Cd
  5351 Cd(II)(en)3C6H24N6Cd
  5352 Cd(II)(en)3 (Geo)C6H24N6Cd
  5353 Cd(II)N6(2+) (ENCDSS) (Geo)C6H24N6Cd
  5354 Cd(II)N6(2+) (ENCDSS)C6H24N6Cd


ΔHf: 15.8 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)N2C2 (LAJMOY)
 H=15.8 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.59869889 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.59401379 +1   71.4448385 +1    0.0000000 +0     1     2     0
  C     2.16719815 +1  104.1211147 +1  100.0117780 +1     1     2     3
  C     1.48754455 +1  111.6909151 +1 -105.6734070 +1     2     1     3
  C     1.49373610 +1  107.7872008 +1  121.3876136 +1     2     1     5
  C     1.49026809 +1  109.2411335 +1  134.1053698 +1     3     1     2
  C     1.54965432 +1  111.1251877 +1  -45.9683312 +1     6     2     1
  C     2.16700786 +1  103.9030986 +1  159.4256839 +1     1     2     4
  C     1.49002255 +1  109.1976161 +1  118.3291746 +1     2     1     6
  C     1.48781113 +1  111.7963864 +1  120.3087652 +1     3     1     7
  H     1.08127179 +1  102.8542702 +1   87.8751804 +1     4     1     2
  H     1.07523955 +1  107.8237674 +1 -120.5019457 +1     4     1    12
  H     1.08063840 +1  103.2534375 +1 -120.8549660 +1     4     1    13
  H     1.10483983 +1  109.0215814 +1  -58.1399968 +1     5     2     1
  H     1.09920573 +1  114.0002611 +1 -121.4877970 +1     5     2    15
  H     1.10282996 +1  109.7907716 +1 -122.1670477 +1     5     2    16
  H     1.11350581 +1  108.3535832 +1  120.0593782 +1     6     2     8
  H     1.11056045 +1  112.2247727 +1  117.6966547 +1     6     2    18
  H     1.10397748 +1  109.2150355 +1   62.9410170 +1     7     3     1
  H     1.09881024 +1  114.0377430 +1  121.5525985 +1     7     3    20
  H     1.10511034 +1  109.3593019 +1  121.9044436 +1     7     3    21
  H     1.11048344 +1  108.9077927 +1 -170.2392428 +1     8     6     2
  H     1.11324886 +1  109.2707158 +1  116.4286587 +1     8     6    23
  H     1.07536022 +1  107.8146364 +1   41.2677496 +1     9     1     2
  H     1.08065400 +1  103.2709017 +1 -120.8326736 +1     9     1    25
  H     1.08124745 +1  102.8640737 +1 -118.6886901 +1     9     1    26
  H     1.10508445 +1  109.3462546 +1  -53.5887683 +1    10     2     1
  H     1.09887135 +1  114.0416808 +1 -121.9405054 +1    10     2    28
  H     1.10398545 +1  109.2025122 +1 -121.5151409 +1    10     2    29
  H     1.10288159 +1  109.7626474 +1   57.9059246 +1    11     3     1
  H     1.09926987 +1  113.9918047 +1  122.1641555 +1    11     3    31
  H     1.10482112 +1  109.0536255 +1  121.4757022 +1    11     3    32