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

sn(iv)s4cl2 (cihdec)   5571 Sn(IV)S4Cl2 (CIHDEC)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  5570 Sn(IV)S4Cl2 (CIHDEC) (Geo)C6H10O2S4Cl2Sn
  5571 Sn(IV)S4Cl2 (CIHDEC) C6H10O2S4Cl2Sn
  5572 Sn(II)Cl3(-) (BITXUX) (Geo)Cl3Sn
  5573 Sn(II)Cl3(-) (BITXUX)Cl3Sn
  5574 Methyltin trichlorideCH3Cl3Sn
  5575 Ethyltin trichlorideC2H5Cl3Sn
  5576 Tin tetrachloride (Geo)Cl4Sn
  5577 Tin tetrachlorideCl4Sn
  5578 Sn(IV)Cl4C2(2-) (ARAWAR) (Geo)C12H10Cl4Sn
  5579 Sn(IV)Cl4C2(2-) (ARAWAR)C12H10Cl4Sn
  5580 Sn(IV)O2Cl4 (CIMWIE) (Geo)H4O2Cl4Sn
  5581 Sn(IV)O2Cl4 (CIMWIE)H4O2Cl4Sn


ΔHf: -153.8 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.
  
 PM7
Sn(IV)S4Cl2 (CIHDEC)
 H=-153.8 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.64467647 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.56209305 +1   68.5977739 +1    0.0000000 +0     1     2     0
 Cl     2.34209756 +1   89.4861799 +1 -103.2416480 +1     1     2     3
  C     1.71407993 +1   86.4657310 +1    0.7811097 +1     2     1     3
  O     1.29988315 +1  129.0367885 +1  179.0206258 +1     5     2     1
  C     1.45581101 +1  119.8648681 +1   -0.6048765 +1     6     5     2
  C     1.51468598 +1  102.3949362 +1 -179.7026814 +1     7     6     5
 Cl     2.33824746 +1  163.2684035 +1  117.0794491 +1     1     2     4
  S     2.58338066 +1   92.5002516 +1  150.4225525 +1     1     2     9
  S     2.61979281 +1   86.4058946 +1  -68.2838492 +1     1     2    10
  C     1.72362239 +1   87.1808569 +1   94.7281898 +1    11     1     2
  O     1.29972912 +1  115.6145134 +1  179.2916121 +1    12    11     1
  C     1.45600527 +1  120.0059213 +1 -179.2515501 +1    13    12    11
  C     1.51470712 +1  102.3616957 +1  179.6325634 +1    14    13    12
  H     1.10468489 +1  108.6836796 +1 -119.8190991 +1     7     6     8
  H     1.10515337 +1  108.6829215 +1 -120.4050650 +1     7     6    16
  H     1.09866016 +1  111.0191182 +1  179.1475957 +1     8     7     6
  H     1.10032072 +1  111.7967491 +1 -120.1146540 +1     8     7    18
  H     1.09988076 +1  111.8452975 +1 -119.6865142 +1     8     7    19
  H     1.10473844 +1  108.7380877 +1  119.7655053 +1    14    13    15
  H     1.10527415 +1  108.6795025 +1  120.5073646 +1    14    13    21
  H     1.09872486 +1  111.0212253 +1 -179.9542735 +1    15    14    13
  H     1.09978977 +1  111.8465877 +1 -120.1996695 +1    15    14    23
  H     1.10019631 +1  111.8010146 +1 -119.6915690 +1    15    14    24