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

cd(ii)s2br2 (peksut)   5397 Cd(II)S2Br2 (PEKSUT)

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    #  Species Formula
  5387 Cd(II)S2N2Cl2 (TCHZCD) (Geo)C2H12N8S2Cl2Cd
  5388 Cd(II)S2N2Cl2 (TCHZCD)C2H12N8S2Cl2Cd
  5389 Cd(II)Cl4(2-) (QNLCDC10) (Geo)Cl4Cd
  5390 Cd(II)Cl4(=)Cl4Cd
  5391 Cd(II)Cl4(=) (Geo)Cl4Cd
  5392 Cd(II)Br.5(H2O)H10O5BrCd
  5393 Cd(II)Br.5(H2O) (Geo)H10O5BrCd
  5394 Cadmium dibromideBr2Cd
  5395 Cadmium dibromide (Geo)Br2Cd
  5396 Cd(II)S2Br2 (PEKSUT) (Geo)C2H8N4S2Br2Cd
  5397 Cd(II)S2Br2 (PEKSUT) C2H8N4S2Br2Cd
  5398 Cd(II)Br4(2-) (MAMCDB) (Geo)Br4Cd
  5399 Cd(II)Br4(2-) (MAMCDB)Br4Cd
  5400 Cd(II)Br4(=)Br4Cd
  5401 Cd(II)Br4(=) (Geo)Br4Cd
  5402 [Cd(II)2(CN)7](3-)C7N7Cd2
  5403 [Cd(II)2(CN)7](3-) (Geo)C7N7Cd2
  5404 Indium (+++)In
  5405 Indium, dicationIn
  5406 Indium, cationIn
  5407 Indium, atomIn


ΔHf: -60.0 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)S2Br2 (PEKSUT)
 H=-60.0 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.63810112 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.84548195 +1   87.2960685 +1    0.0000000 +0     1     2     0
  S     2.50122089 +1  105.3682508 +1   90.7967729 +1     1     2     3
  C     1.79768145 +1   93.3805312 +1  -57.3441970 +1     4     1     2
  N     1.35184859 +1  119.0067341 +1 -108.5621002 +1     5     4     1
  H     1.00846782 +1  122.0359714 +1  168.4329214 +1     6     5     4
  H     1.01290664 +1  120.0523917 +1 -157.4450884 +1     6     5     7
  N     1.34833736 +1  120.8572637 +1 -174.7270888 +1     5     4     6
  H     1.00831950 +1  122.2447240 +1 -166.1680178 +1     9     5     4
  H     1.01924887 +1  120.8153145 +1  160.2030345 +1     9     5    10
  S     2.50101965 +1  105.5005893 +1  178.4805081 +1     1     2     4
  C     1.79781413 +1   93.4325381 +1   57.7420809 +1    12     1     2
  N     1.35190619 +1  118.9852255 +1  108.7531604 +1    13    12     1
  H     1.00848793 +1  122.0366645 +1 -168.3973547 +1    14    13    12
  H     1.01280270 +1  120.0573770 +1  157.4458530 +1    14    13    15
  N     1.34827977 +1  120.8667036 +1  174.7387757 +1    13    12    14
  H     1.00834549 +1  122.2450833 +1  166.2036602 +1    17    13    12
  H     1.01917489 +1  120.8243502 +1 -160.2245633 +1    17    13    18