Accuracy

sn(iv)o4cl2 (acclti)   5565 Sn(IV)O4Cl2 (ACCLTI)

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    #  Species Formula
  5555 Dimethyltin dichloride (Geo)C2H6Cl2Sn
  5556 Sn(IV)Cl2C3(-) (BEPFIL) (Geo)C3H9Cl2Sn
  5557 Sn(IV)Cl2C3(-) (BEPFIL)C3H9Cl2Sn
  5558 Sn(IV)N4Cl2 (WATTIU) (Geo)C22H22N4Cl2Sn
  5559 Sn(IV)N4Cl2 (WATTIU)C22H22N4Cl2Sn
  5560 Sn(IV)C2Cl2O (ADIDUM) (Geo)C12H12OCl2Sn
  5561 Sn(IV)C2Cl2O (ADIDUM)C12H12OCl2Sn
  5562 Sn(IV)O2C2Cl2 (BCMESN) (Geo)C8H14O4Cl2Sn
  5563 Sn(IV)O2C2Cl2 (BCMESN)C8H14O4Cl2Sn
  5564 Sn(IV)O4Cl2 (ACCLTI) (Geo)C10H14O4Cl2Sn
  5565 Sn(IV)O4Cl2 (ACCLTI) C10H14O4Cl2Sn
  5566 Sn(II)SCl2 (CAPWEV) (Geo)CH4N2SCl2Sn
  5567 Sn(II)SCl2 (CAPWEV)CH4N2SCl2Sn
  5568 Sn(IV)S4Cl2 (CIHDEC) (Geo)C6H10O2S4Cl2Sn
  5569 Sn(IV)S4Cl2 (CIHDEC)C6H10O2S4Cl2Sn
  5570 Sn(II)Cl3(-) (BITXUX) (Geo)Cl3Sn
  5571 Sn(II)Cl3(-) (BITXUX)Cl3Sn
  5572 Methyltin trichlorideCH3Cl3Sn
  5573 Ethyltin trichlorideC2H5Cl3Sn
  5574 Tin tetrachloride (Geo)Cl4Sn
  5575 Tin tetrachlorideCl4Sn


ΔHf: -258.5 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)O4Cl2 (ACCLTI)
 H=-258.5 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.04428991 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.07076493 +1   81.3529480 +1    0.0000000 +0     1     2     0
 Cl     2.32976001 +1   97.0192971 +1  -88.6967032 +1     1     2     3
  C     3.07848295 +1  107.9735532 +1  167.2681540 +1     1     2     4
  C     1.40014870 +1   95.1318472 +1 -176.7914012 +1     5     1     2
  C     1.26461447 +1  134.0568768 +1    4.5255433 +1     2     1     3
  C     1.49685629 +1  113.6445300 +1  176.7430808 +1     7     2     1
  C     1.49785266 +1  143.5303013 +1 -178.7091984 +1     5     1     6
  H     1.09944675 +1  111.0673719 +1 -118.3686190 +1     8     7     2
  H     1.09829279 +1  111.3399131 +1 -120.1972012 +1     8     7    10
  H     1.10423858 +1  111.4481907 +1 -120.0788911 +1     8     7    11
  H     1.09996028 +1  110.9062279 +1  116.0512727 +1     9     5     1
  H     1.10203456 +1  111.6066543 +1 -119.6083857 +1     9     5    13
  H     1.09813358 +1  111.3520140 +1 -120.4270195 +1     9     5    14
  H     1.08164545 +1  118.9493655 +1 -178.2179402 +1     6     5     1
 Cl     2.33034731 +1   88.9810361 +1   90.8209977 +1     1     2     5
  O     2.04290417 +1  170.5745002 +1 -122.7330330 +1     1     2    17
  C     1.26463522 +1  134.1895617 +1   83.4679812 +1    18     1     3
  C     1.39555551 +1  124.5338189 +1  179.8630016 +1     7     2     8
  C     1.25964893 +1  133.6336602 +1   -4.5145842 +1     3     1     2
  C     1.49667744 +1  113.6543944 +1  176.1357886 +1    19    18     1
  H     1.08167755 +1  119.0490751 +1  179.8334553 +1    20     7     2
  C     1.49771270 +1  114.4588889 +1 -176.8201980 +1    21     3     1
  H     1.09958135 +1  111.0127563 +1 -117.4666019 +1    22    19    18
  H     1.09825757 +1  111.4014850 +1 -120.1686315 +1    22    19    25
  H     1.10421123 +1  111.4801911 +1 -120.1838965 +1    22    19    26
  H     1.09997925 +1  110.9453385 +1  118.9151495 +1    24    21     3
  H     1.10218278 +1  111.5966213 +1 -119.6535828 +1    24    21    28
  H     1.09828026 +1  111.3171229 +1 -120.3618802 +1    24    21    29
  O     1.25934052 +1   29.0943158 +1   -3.3009014 +1     5     1     9