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

sb2(d-c4h2o6)2(=)   5711 Antimony tartarate (tartar emetic)

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    #  Species Formula
  5701 Sb(V)CBr5(-) (JINMIC) (Geo)C6H5Br5Sb
  5702 Sb(V)CBr5(-) (JINMIC)C6H5Br5Sb
  5703 Sb(V)Br6(-) (CLBRPZ) (Geo)Br6Sb
  5704 Sb(V)Br6(-) (CLBRPZ)Br6Sb
  5705 SbBr6(-)Br6Sb
  5706 SbBr6(-) (Geo)Br6Sb
  5707 Indium antimonideInSb
  5708 InSbH4, complex (Geo)H4InSb
  5709 Antimony, dimerSb2
  5710 Antimony, dimer (Geo)Sb2
  5711 Antimony tartarate (tartar emetic) C8H4O12Sb2
  5712 Antimony tartarate (tartar emetic) (Geo)C8H4O12Sb2
  5713 Sb2F4F4Sb2
  5714 Sb2F4 (Geo)F4Sb2
  5715 SbF5N (TUSBAK) (Geo)C4H4N2F10Sb2
  5716 SbO3F3 (OFAFSB01) (Geo)C4O5F12Sb2
  5717 Sb2Cl4Cl4Sb2
  5718 Sb2Cl4 (Geo)Cl4Sb2
  5719 Di-m-chloro-bis(dichloro-dimethyl-antimony) (CLMSBC) (Geo)C4H12Cl6Sb2
  5720 mu-Acetato-mu-hydroxy-mu-oxo-bis(trichloro-antimony(v)) (ACXHSB) (Geo)C2H3O4Cl6Sb2
  5721 Sb2Br4Br4Sb2


ΔHf: -536.6 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 PM7
Antimony tartarate (tartar emetic)
 H=-536.6 HR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11960912 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.22613427 +1  146.9615403 +1    0.0000000 +0     2     1     0
  O     2.05332283 +1   75.0535315 +1   -3.4814477 +1     1     2     3
  O     2.96729083 +1  105.2280926 +1  -63.6297431 +1     4     1     2
  O     3.53893809 +1  168.3504006 +1  -34.2262875 +1     4     1     5
  O     2.22629495 +1   71.0831359 +1  -10.4388953 +1     6     4     1
  C     3.99258350 +1   96.4275683 +1  -39.9222100 +1     5     4     1
  C     1.55833105 +1   82.1424023 +1  -29.5898941 +1     8     5     4
 Sb     2.05340263 +1  104.8019177 +1  -47.2116715 +1     5     4     8
  C     1.54802892 +1  110.0464955 +1   90.1932020 +1     9     8     5
  C     1.55827717 +1  110.0979901 +1  179.4540427 +1    11     9     8
  O     1.30558381 +1   42.1220904 +1 -138.0720459 +1     8     5     9
  O     1.21557996 +1  147.1530280 +1  -79.7332453 +1     8     5    13
  O     1.38377218 +1  109.6867636 +1 -125.0879410 +1     9     8    11
  O     1.38383476 +1  113.1200044 +1  123.1386107 +1    11     9    12
  O     1.21584785 +1  122.6315388 +1  -66.2853621 +1    12    11     9
  O     1.30571946 +1  113.1127813 +1 -174.1056417 +1    12    11    17
  H     1.12244141 +1  109.8002500 +1 -115.9894595 +1     9     8    15
  H     1.12255440 +1  108.1753790 +1  116.9743862 +1    11     9    16
  C     1.21559883 +1   29.1044062 +1   11.0684725 +1     3     2     1
  C     1.38365709 +1  121.3193489 +1   91.9979400 +1     4     1     6
  C     1.38356954 +1   54.7986719 +1 -118.1111328 +1     5     4    10
  C     1.21566147 +1   51.6352832 +1   24.9454614 +1     6     4     7
  H     1.12244296 +1  105.9850014 +1  126.2130448 +1    22     4     1
  H     1.12240939 +1  105.9654562 +1 -146.8433507 +1    23     5     4