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

zn(ii)o2br2 (caryup)   4343 Zn(II)O2Br2 (CARYUP)

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    #  Species Formula
  4333 Cu(II)N2Br2 (BAEPYC) (Geo)C7H10N2CuBr2
  4334 Cu(II)N2Br2 (BAEPYC)C7H10N2CuBr2
  4335 Cu(II)N3Br2 (BAZNCU) (Geo)C6H15N3CuBr2
  4336 Cu(II)N3Br2 (BAZNCU)C6H15N3CuBr2
  4337 Cu(III)Br2(Me2N-CSS) (Geo)C3H6NS2CuBr2
  4338 Zinc dibromideZnBr2
  4339 Zinc dibromide (Geo)ZnBr2
  4340 Zn(II)N2Br2 (CAHGIB) (Geo)C5H14N2ZnBr2
  4341 Zn(II)N2Br2 (CAHGIB)C5H14N2ZnBr2
  4342 Zn(II)O2Br2 (CARYUP) (Geo)H4O2ZnBr2
  4343 Zn(II)O2Br2 (CARYUP) H4O2ZnBr2
  4344 Germanium dibromide (Geo)GeBr2
  4345 Germanium dibromideGeBr2
  4346 As(V)C2Br3 (DMEASB) (Geo)C14H14As2Br2
  4347 As(V)C2Br3 (DMEASB)C14H14As2Br2
  4348 Selenium dibromideSeBr2
  4349 Boron tribromide (Geo)BBr3
  4350 Boron tribromideBBr3
  4351 BromoformHCBr3
  4352 1,1,1-TribromoethaneC2H3Br3
  4353 2,4,6-TribromoanilineC6H4NBr3


ΔHf: -171.2 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
Zn(II)O2Br2 (CARYUP)
 H=-171.2 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.25954459 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.25818750 +1  158.1535288 +1    0.0000000 +0     1     2     0
  O     2.16299976 +1   94.8652370 +1 -119.1537660 +1     1     2     3
  O     2.16764907 +1   95.2575061 +1 -121.1693497 +1     1     2     4
  H     0.96594882 +1  115.3173081 +1  146.7442066 +1     4     1     2
  H     0.96596523 +1  115.4433028 +1 -126.3423261 +1     4     1     6
  H     0.96622927 +1  115.0632438 +1 -145.8290631 +1     5     1     2
  H     0.96622085 +1  115.0347126 +1  125.5304887 +1     5     1     8