Accuracy

cd(ii)(en)3   5351 Cd(II)(en)3

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    #  Species Formula
  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)3 C6H24N6Cd
  5352 Cd(II)(en)3 (Geo)C6H24N6Cd
  5353 Cd(II)N6(2+) (ENCDSS) (Geo)C6H24N6Cd
  5354 Cd(II)N6(2+) (ENCDSS)C6H24N6Cd
  5355 Cd(II)(OH)2H2O2Cd
  5356 Cd(II)(OH)2 (Geo)H2O2Cd
  5357 Cd(II)(H2O)6H12O6Cd
  5358 Cd(II)(H2O)6 (Geo)H12O6Cd
  5359 Cd(II)O4N2 (BUNVUB10) (Geo)C6H16N2O6Cd
  5360 Cd(II)O4N2 (BUNVUB10)C6H16N2O6Cd
  5361 Cd(II)(EDTA)(=)C10H12N2O8Cd


ΔHf: 271.4 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.
  
 CHARGE=2 PM7
Cd(II)(en)3
 H=271.4 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.31121221 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.30730604 +1   75.9626479 +1    0.0000000 +0     1     2     0
  N     2.30943985 +1   93.2965704 +1   99.9650056 +1     1     2     3
  N     2.30965002 +1  163.3930601 +1  -48.8224296 +1     1     2     4
  N     2.31150701 +1   92.3837147 +1  141.9076420 +1     1     2     5
  N     2.30950291 +1  100.4453511 +1   76.1360667 +1     1     2     6
  C     1.50873162 +1  111.5788156 +1   14.1515169 +1     3     1     2
  C     1.50846951 +1  111.4660967 +1   14.2165417 +1     2     1     3
  C     1.50850547 +1  111.5197251 +1   65.0751995 +1     5     1     2
  C     1.50855128 +1  111.5740058 +1 -153.1239232 +1     4     1     2
  C     1.50861882 +1  111.5458876 +1  -75.6535377 +1     7     1     2
  C     1.50843069 +1  111.5037394 +1  114.3204068 +1     6     1     2
  H     1.11388584 +1  108.9998262 +1   81.4128356 +1     8     3     1
  H     1.11388009 +1  109.0055496 +1   81.3688653 +1     9     2     1
  H     1.11383266 +1  109.0011415 +1   81.2629750 +1    10     5     1
  H     1.11386484 +1  109.0068254 +1   81.5133883 +1    11     4     1
  H     1.11380706 +1  109.0025313 +1   81.4181469 +1    12     7     1
  H     1.11385554 +1  109.0000035 +1   81.4500920 +1    13     6     1
  H     1.11649589 +1  111.3443086 +1  116.9827975 +1    13     6    19
  H     1.11648879 +1  111.3309115 +1  116.9994856 +1     8     3    14
  H     1.11650287 +1  111.3257878 +1  116.9761818 +1    12     7    18
  H     1.11644319 +1  111.3575486 +1  117.0214508 +1     9     2    15
  H     1.11646997 +1  111.3531763 +1  117.0011473 +1    10     5    16
  H     1.11643175 +1  111.3450326 +1  117.0031256 +1    11     4    17
  H     1.02605216 +1  110.5782189 +1  121.8076997 +1     2     1     9
  H     1.02626810 +1  110.5063466 +1  121.8136568 +1     3     1     8
  H     1.02618153 +1  110.5451203 +1  121.7958320 +1     5     1    10
  H     1.02623508 +1  110.5165259 +1  121.8308179 +1     4     1    11
  H     1.02610977 +1  110.5195851 +1  121.7753847 +1     6     1    13
  H     1.02625445 +1  110.5237953 +1  121.8045168 +1     7     1    12
  H     1.02601829 +1  109.5050423 +1  117.0860938 +1     2     1    26
  H     1.02606279 +1  109.5248622 +1  117.0367166 +1     7     1    31
  H     1.02618080 +1  109.5055309 +1  117.0251520 +1     3     1    27
  H     1.02605593 +1  109.4826402 +1  117.0158568 +1     4     1    29
  H     1.02610027 +1  109.5123583 +1  117.0549777 +1     5     1    28
  H     1.02591898 +1  109.5549548 +1  117.0537417 +1     6     1    30