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

sb(v)cl5o (curduo)   5683 Sb(V)Cl5O (CURDUO)

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    #  Species Formula
  5673 SbCl4(+)Cl4Sb
  5674 SbCl4(+) (Geo)Cl4Sb
  5675 Sb(V)Cl4O2 (DOTJEB01) (Geo)C5H7O2Cl4Sb
  5676 Antimony pentachlorideCl5Sb
  5677 Antimony pentachloride (Geo)Cl5Sb
  5678 Sb(III)Cl5(2-) (BPCLSB) (Geo)Cl5Sb
  5679 Sb(III)Cl5(2-) (BPCLSB)Cl5Sb
  5680 Sb(V)C3Cl2 (CLVISB) (Geo)C6H6Cl5Sb
  5681 Sb(V)OCl5 (ACMEPO) (Geo)C3H9OPCl5Sb
  5682 Sb(V)Cl5O (CURDUO) (Geo)C2H6OSCl5Sb
  5683 Sb(V)Cl5O (CURDUO) C2H6OSCl5Sb
  5684 Sb(V)Cl6(-) (ACCLSB20) (Geo)Cl6Sb
  5685 Sb(V)Cl6(-) (ACCLSB20)Cl6Sb
  5686 SbCl6(-)Cl6Sb
  5687 SbCl6(-) (Geo)Cl6Sb
  5688 Mn(CO)5Sb (BAZPEX) (Geo)C7O5F6MnSb
  5689 Sb(III)CBr2 (KUTXUS) (Geo)C6H5Br2Sb
  5690 Sb(III)CBr2 (KUTXUS)C6H5Br2Sb
  5691 SbOCBr (MBACSB10) (Geo)C7H13O2Br2Sb
  5692 Antimony tribromideBr3Sb
  5693 Sb(III)Br3 (DEJYEW) (Geo)Br3Sb


ΔHf: -146.6 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.
  
 PM7
Sb(V)Cl5O (CURDUO)
 H=-146.6 HR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.34083699 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.31909879 +1   97.4491013 +1    0.0000000 +0     1     2     0
  O     2.07123887 +1   85.6086997 +1 -179.7745964 +1     1     2     3
 Cl     2.37221834 +1   80.6486278 +1 -179.6570379 +1     1     4     2
  S     1.54526151 +1  171.0247128 +1  168.1829106 +1     4     1     2
  C     1.78990342 +1  103.0717279 +1  119.9192577 +1     6     4     2
  C     1.79035948 +1  102.7927141 +1  104.8283901 +1     6     4     7
  H     1.10319594 +1  115.2290258 +1   60.4148455 +1     7     6     4
  H     1.09623365 +1  111.9649381 +1  122.3831720 +1     7     6     9
  H     1.10677666 +1  111.1964572 +1  119.1428247 +1     7     6    10
  H     1.10682629 +1  111.1217322 +1   56.3323135 +1     8     6     4
  H     1.09595174 +1  112.0028213 +1  119.2472632 +1     8     6    12
  H     1.10324111 +1  115.2447743 +1  122.5950500 +1     8     6    13
 Cl     2.35788244 +1   89.9286496 +1  -97.1452276 +1     1     2     3
 Cl     2.35324133 +1   90.3226543 +1 -165.6249351 +1     1     2    15