Accuracy

sb2(d-c4h2o6)2(=)r   5710 Antimony tartarate (tartar emetic) (Geo)

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    #  Species Formula
  5700 Sb(V)CBr5(-) (JINMIC)C6H5Br5Sb
  5701 Sb(V)Br6(-) (CLBRPZ) (Geo)Br6Sb
  5702 Sb(V)Br6(-) (CLBRPZ)Br6Sb
  5703 SbBr6(-)Br6Sb
  5704 SbBr6(-) (Geo)Br6Sb
  5705 Indium antimonideInSb
  5706 InSbH4, complex (Geo)H4InSb
  5707 Antimony, dimerSb2
  5708 Antimony, dimer (Geo)Sb2
  5709 Antimony tartarate (tartar emetic)C8H4O12Sb2
  5710 Antimony tartarate (tartar emetic) (Geo) C8H4O12Sb2
  5711 Sb2F4F4Sb2
  5712 Sb2F4 (Geo)F4Sb2
  5713 SbF5N (TUSBAK) (Geo)C4H4N2F10Sb2
  5714 SbO3F3 (OFAFSB01) (Geo)C4O5F12Sb2
  5715 Sb2Cl4Cl4Sb2
  5716 Sb2Cl4 (Geo)Cl4Sb2
  5717 Di-m-chloro-bis(dichloro-dimethyl-antimony) (CLMSBC) (Geo)C4H12Cl6Sb2
  5718 mu-Acetato-mu-hydroxy-mu-oxo-bis(trichloro-antimony(v)) (ACXHSB) (Geo)C2H3O4Cl6Sb2
  5719 Sb2Br4Br4Sb2
  5720 Sb2Br4 (Geo)Br4Sb2


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 PM7
Antimony tartarate (tartar emetic)
 <Sb-O> <Sb-O><> <Sb-O> GR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.21731800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27176100 +1  143.5862704 +1    0.0000000 +0     2     1     0
  O     2.04568000 +1   74.2321713 +1   -3.1913112 +1     1     2     3
  O     2.95736977 +1  104.9535879 +1  -64.9420986 +1     4     1     2
  O     3.55602832 +1  167.7038074 +1  -35.1653181 +1     4     1     5
  O     2.22555879 +1   71.2081468 +1   -9.1119766 +1     6     4     1
  C     3.99782658 +1   96.6767743 +1  -39.7199197 +1     5     4     1
  C     1.55886109 +1   81.7793325 +1  -29.7156245 +1     8     5     4
 Sb     2.05253674 +1  105.4372358 +1  -47.1551859 +1     5     4     8
  C     1.54816624 +1  109.9010966 +1   90.0972971 +1     9     8     5
  C     1.55788391 +1  110.1122549 +1  179.2813701 +1    11     9     8
  O     1.30457744 +1   42.5226408 +1 -138.0594529 +1     8     5     9
  O     1.21579116 +1  147.2515079 +1  -80.6832508 +1     8     5    13
  O     1.38291035 +1  109.7634481 +1 -124.9815097 +1     9     8    11
  O     1.38444305 +1  113.1191208 +1  123.1447218 +1    11     9    12
  O     1.21452395 +1  122.9147701 +1  -66.1810576 +1    12    11     9
  O     1.30858986 +1  113.0389403 +1 -174.0846866 +1    12    11    17
  H     1.12230756 +1  109.7821710 +1 -116.1386446 +1     9     8    15
  H     1.12271807 +1  108.1942030 +1  116.9451192 +1    11     9    16
  C     1.22667391 +1   27.1968719 +1   10.9441586 +1     3     2     1
  C     1.38380780 +1  122.6020566 +1   93.3142802 +1     4     1     6
  C     1.38467625 +1   55.1719564 +1 -117.6019621 +1     5     4    10
  C     1.21563750 +1   51.6056868 +1   24.9135312 +1     6     4     7
  H     1.12265240 +1  105.5755953 +1  128.0664941 +1    22     4     1
  H     1.12313449 +1  105.9182409 +1 -146.3030866 +1    23     5     4