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

sn(iv)cl2c3(-) (bepfil)   5559 Sn(IV)Cl2C3(-) (BEPFIL)

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    #  Species Formula
  5549 Tin chloride trihydride (Geo)H3ClSn
  5550 Trimethyltin chlorideC3H9ClSn
  5551 Triethyltin chlorideC6H15ClSn
  5552 Sn(IV)S4Cl(-) (BTHSNA10) (Geo)C14H12S4ClSn
  5553 Sn(IV)S4Cl(-) (BTHSNA10)C14H12S4ClSn
  5554 Tin dichloride (Geo)Cl2Sn
  5555 Tin dichlorideCl2Sn
  5556 Dimethyltin dichlorideC2H6Cl2Sn
  5557 Dimethyltin dichloride (Geo)C2H6Cl2Sn
  5558 Sn(IV)Cl2C3(-) (BEPFIL) (Geo)C3H9Cl2Sn
  5559 Sn(IV)Cl2C3(-) (BEPFIL) C3H9Cl2Sn
  5560 Sn(IV)N4Cl2 (WATTIU) (Geo)C22H22N4Cl2Sn
  5561 Sn(IV)N4Cl2 (WATTIU)C22H22N4Cl2Sn
  5562 Sn(IV)C2Cl2O (ADIDUM) (Geo)C12H12OCl2Sn
  5563 Sn(IV)C2Cl2O (ADIDUM)C12H12OCl2Sn
  5564 Sn(IV)O2C2Cl2 (BCMESN) (Geo)C8H14O4Cl2Sn
  5565 Sn(IV)O2C2Cl2 (BCMESN)C8H14O4Cl2Sn
  5566 Sn(IV)O4Cl2 (ACCLTI) (Geo)C10H14O4Cl2Sn
  5567 Sn(IV)O4Cl2 (ACCLTI)C10H14O4Cl2Sn
  5568 Sn(II)SCl2 (CAPWEV) (Geo)CH4N2SCl2Sn
  5569 Sn(II)SCl2 (CAPWEV)CH4N2SCl2Sn


ΔHf: -125.9 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=-1 PM7
Sn(IV)Cl2C3(-) (BEPFIL)
 H=-125.9 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.50102274 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.15353703 +1   90.1196835 +1    0.0000000 +0     1     2     0
  C     2.15337609 +1   89.7444087 +1  120.1237861 +1     1     2     3
 Cl     2.50422904 +1   90.3314280 +1 -179.9632054 +1     1     4     2
  C     2.15349205 +1   90.0368191 +1  119.7998272 +1     1     2     4
  H     1.08710914 +1  109.8304173 +1  -29.7282798 +1     3     1     2
  H     1.08510872 +1  110.2999523 +1  119.8750154 +1     3     1     7
  H     1.08718793 +1  109.7577924 +1  119.7948666 +1     3     1     8
  H     1.08658981 +1  109.8599067 +1   45.0424642 +1     4     1     2
  H     1.08739807 +1  109.8375876 +1  120.2628544 +1     4     1    10
  H     1.08536145 +1  110.2124751 +1  120.1441442 +1     4     1    11
  H     1.08710008 +1  109.8558176 +1  -28.8399032 +1     6     1     2
  H     1.08708576 +1  109.8012296 +1 -120.2698788 +1     6     1    13
  H     1.08520316 +1  110.2470948 +1 -119.8533393 +1     6     1    14