Accuracy

sn(iv)c2cl2o (adidum)   5561 Sn(IV)C2Cl2O (ADIDUM)

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    #  Species Formula
  5551 Sn(IV)S4Cl(-) (BTHSNA10)C14H12S4ClSn
  5552 Tin dichloride (Geo)Cl2Sn
  5553 Tin dichlorideCl2Sn
  5554 Dimethyltin dichlorideC2H6Cl2Sn
  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


ΔHf: -54.7 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.
  
 PULAY PM7
Sn(IV)C2Cl2O (ADIDUM)
 H=-54.7 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sn     2.11406362 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.11407207 +1  114.3035623 +1    0.0000000 +0     2     1     0
 Cl     2.32660615 +1  109.0055870 +1 -122.5906749 +1     2     1     3
  O     3.79193223 +1   78.0740440 +1 -165.2948561 +1     2     1     4
  C     1.39671038 +1  120.3161438 +1  -51.3134111 +1     1     2     3
  H     1.09527584 +1  121.5566397 +1    0.3432371 +1     6     1     2
  C     1.39511982 +1  120.6625326 +1 -179.9149036 +1     6     1     7
  H     1.08747303 +1  119.8631163 +1 -179.9937257 +1     8     6     1
  C     1.39264548 +1  120.1422437 +1  179.9166621 +1     8     6     9
  H     1.08772495 +1  120.1947139 +1  179.9885502 +1    10     8     6
  C     1.39285465 +1  119.6061590 +1  179.9756362 +1    10     8    11
  H     1.08744776 +1  119.9617479 +1 -179.9231744 +1    12    10     8
  C     1.39651519 +1  120.8965705 +1 -179.6812564 +1     1     2     6
  H     1.09250785 +1  121.4988421 +1   -0.3321591 +1    14     1     2
  C     1.39658866 +1  120.3983893 +1   54.5361864 +1     3     2     1
  H     1.09526267 +1  121.5168346 +1   -0.6052701 +1    16     3     2
  C     1.39511131 +1  120.6857072 +1 -179.8690124 +1    16     3    17
  H     1.08744920 +1  119.8834957 +1 -179.9523803 +1    18    16     3
  C     1.39273850 +1  120.1180499 +1 -179.9543466 +1    18    16    19
  H     1.08771752 +1  120.1823712 +1  179.9892409 +1    20    18    16
  C     1.39284670 +1  119.6074375 +1 -179.9585704 +1    20    18    21
  H     1.08750966 +1  119.9397728 +1  179.8912548 +1    22    20    18
  C     1.39665604 +1  120.8118970 +1  179.6322296 +1     3     2    16
  H     1.09246576 +1  121.5308300 +1    0.4932561 +1    24     3     2
 Cl     2.33590018 +1  108.0387612 +1   48.2643048 +1     2     1     5
  H     0.95988930 +1   89.3721326 +1  171.1951409 +1     5     2     1
  H     0.95951137 +1   89.5992608 +1 -104.6005289 +1     5     2    27