Accuracy

cu(ii)4br10(civnaw10)   4440 Cu(II)4Br10(2-) (CIVNAW10)

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    #  Species Formula
  4430 Cr(III)Br6(3-) (YIBWOV) (Geo)CrBr6
  4431 Gallium tribromide, dimer (Geo)Ga2Br6
  4432 Ge2Br6C (COJLOC) (Geo)C3H4O2Ge2Br6
  4433 Ge2Br6C (COJLOC)C3H4O2Ge2Br6
  4434 SeBr6(=)SeBr6
  4435 SeBr6(=) (Geo)SeBr6
  4436 As(III)Br5(2-) (CODDEE) (Geo)As2Br8
  4437 As(III)Br5(2-) (CODDEE)As2Br8
  4438 Cu(II)4Br10(2-) (CIVNAW10) (Geo)Cu4Br10
  4439 Cu(II)4Br10(2-) (CIVNAW10)Cu4Br10
  4440 Cu(II)4Br10(2-) (CIVNAW10) Cu4Br10
  4441 Krypton, atomKr
  4442 Krypton Lithium, cation (Geo)LiKr
  4443 Krypton fluoride anion (Geo)FKr
  4444 Krypton sodium, cation (Geo)NaKr
  4445 Krypton chloride, anion (Geo)ClKr
  4446 Krypton potassium cation (Geo)KKr
  4447 Krypton bromide, anion (Geo)BrKr
  4448 Rubidium, cationRb
  4449 Rubidium, atomRb
  4450 Rubidium hydride (Geo)HRb


ΔHf: -248.8 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 UHF QUINTET RELSCF=100 PM7
Cu(II)4Br10(2-) (CIVNAW10)
 H=-248.8 HR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     3.04992581 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cu     2.96546765 +1  179.5738241 +0  180.0000000 +0     2     1     0
 Cu     3.95440488 +1  174.2733347 +0   -9.0510245 +1     3     2     1
 Br     2.57381450 +1   92.4500829 +1 -161.3607816 +1     1     2     3
 Br     2.57618664 +1   95.9958246 +1  150.6299066 +1     1     2     5
 Br     2.58966887 +1   52.4029462 +1 -153.6492357 +1     2     1     6
 Br     1.45084963 +1    0.9071541 +1    1.8399932 +1     0     0     0
 Br     4.54730937 +1    1.0748006 +1   -1.7284669 +1     0     0     0
 Br     4.56545915 +1   -0.9397141 +1    1.7418262 +1     0     0     0
 Br     8.12612395 +1   -0.8612488 +1   -1.3266661 +1     0     0     0
 Br     8.37428698 +1   -0.8999214 +1    1.3795671 +1     0     0     0
 Br    12.14123839 +1    0.5970991 +1    1.3046500 +1     0     0     0
 Br    12.15117884 +1    0.2516908 +1   -1.3769112 +1     0     0     0