Accuracy

zn(ii)o2br2 (caryup)   4341 Zn(II)O2Br2 (CARYUP)

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    #  Species Formula
  4331 Cu(II)N2Br2 (BAEPYC) (Geo)C7H10N2CuBr2
  4332 Cu(II)N2Br2 (BAEPYC)C7H10N2CuBr2
  4333 Cu(II)N3Br2 (BAZNCU) (Geo)C6H15N3CuBr2
  4334 Cu(II)N3Br2 (BAZNCU)C6H15N3CuBr2
  4335 Cu(III)Br2(Me2N-CSS) (Geo)C3H6NS2CuBr2
  4336 Zinc dibromideZnBr2
  4337 Zinc dibromide (Geo)ZnBr2
  4338 Zn(II)N2Br2 (CAHGIB) (Geo)C5H14N2ZnBr2
  4339 Zn(II)N2Br2 (CAHGIB)C5H14N2ZnBr2
  4340 Zn(II)O2Br2 (CARYUP) (Geo)H4O2ZnBr2
  4341 Zn(II)O2Br2 (CARYUP) H4O2ZnBr2
  4342 Germanium dibromide (Geo)GeBr2
  4343 Germanium dibromideGeBr2
  4344 As(V)C2Br3 (DMEASB) (Geo)C14H14As2Br2
  4345 As(V)C2Br3 (DMEASB)C14H14As2Br2
  4346 Selenium dibromideSeBr2
  4347 Boron tribromide (Geo)BBr3
  4348 Boron tribromideBBr3
  4349 BromoformHCBr3
  4350 1,1,1-TribromoethaneC2H3Br3
  4351 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