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

cd(ii)o4n2 (bunvub10)   5362 Cd(II)O4N2 (BUNVUB10)

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    #  Species Formula
  5352 Cd(II)(NH3)6 (Geo)H18N6Cd
  5353 Cd(II)(en)3C6H24N6Cd
  5354 Cd(II)(en)3 (Geo)C6H24N6Cd
  5355 Cd(II)N6(2+) (ENCDSS) (Geo)C6H24N6Cd
  5356 Cd(II)N6(2+) (ENCDSS)C6H24N6Cd
  5357 Cd(II)(OH)2H2O2Cd
  5358 Cd(II)(OH)2 (Geo)H2O2Cd
  5359 Cd(II)(H2O)6H12O6Cd
  5360 Cd(II)(H2O)6 (Geo)H12O6Cd
  5361 Cd(II)O4N2 (BUNVUB10) (Geo)C6H16N2O6Cd
  5362 Cd(II)O4N2 (BUNVUB10) C6H16N2O6Cd
  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


ΔHf: -308.6 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)O4N2 (BUNVUB10)
 H=-308.6 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.07522927 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.48000103 +1   68.9203086 +1    0.0000000 +0     1     2     0
  O     2.98111297 +1  118.3954873 +1   27.4562634 +1     1     2     3
  O     2.25008342 +1  139.1458645 +1  -10.0118211 +1     3     1     2
  N     2.12657782 +1  133.7314491 +1  160.6221149 +1     1     2     4
  O     2.18016641 +1  114.9333034 +1  -95.5780184 +1     1     2     6
  O     2.24376701 +1  121.7485702 +1 -129.6184380 +1     1     2     7
  C     1.52794147 +1  110.4928852 +1  -85.1362285 +1     6     1     2
  C     1.28377926 +1  118.2938566 +1  122.2160138 +1     7     1     2
  C     1.51836930 +1  112.0542652 +1   79.0657830 +1     9     6     1
  O     1.20563045 +1  127.3279463 +1  169.7155788 +1    10     7     1
  H     3.15845453 +1   76.8791946 +1  -58.2967126 +1     5     3     1
  H     1.76378327 +1  115.0648254 +1   71.6619374 +1    13     5     3
  H     1.78651813 +1   58.9233096 +1  -84.5546536 +1    14    13     5
  H     0.97931119 +1   71.8647621 +1  103.9849024 +1     4     1     2
  H     1.02664119 +1  114.8905997 +1  123.9869222 +1     6     1     9
  H     1.00635256 +1   98.6265833 +1   18.0768300 +1     8     1     2
  H     1.11199103 +1  109.7419208 +1  124.7377206 +1     9     6    11
  H     1.10521431 +1  109.8964326 +1 -171.6214989 +1    11     9     6
  H     1.09763453 +1  113.1527584 +1  117.5954582 +1    11     9    20
  H     1.09513863 +1  112.7826042 +1  122.9916846 +1    11     9    21
  H     1.04324240 +1  106.4576525 +1  -77.5423072 +1     2     1     3
  H     0.97784955 +1   79.9367428 +1 -111.6255652 +1     4     1    16
  H     1.03790515 +1  106.4313598 +1  118.4475737 +1     6     1    17
  H     1.03636209 +1   95.8152324 +1   99.7361647 +1     8     1    18
  H     1.03033756 +1  113.2296286 +1 -118.7654533 +1     2     1    23
  H     2.17848566 +1  142.0945410 +1 -124.7320881 +1     2     1    27
  C     1.10913809 +1   41.4695917 +1    2.3459193 +1    28     2     1
  C     1.09562946 +1   36.8643584 +1   39.1521830 +1    14    13    15
  C     1.20742685 +1   25.0698691 +1   42.6822207 +1     5     3    13