Accuracy

sn(iv)s2c2 (acelid)   5545 Sn(IV)S2C2 (ACELID)

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    #  Species Formula
  5535 Dimethyltin difluorideC2H6F2Sn
  5536 Tetrafluorostannane (Geo)F4Sn
  5537 TetrafluorostannaneF4Sn
  5538 Sn(IV)F6(2-) (JOZXIF) (Geo)F6Sn
  5539 Sn(IV)F6(2-) (JOZXIF)F6Sn
  5540 Tin sulfide (Geo)SSn
  5541 Tin sulfideSSn
  5542 Sn(CH3S)(Me3)C4H12SSn
  5543 Sn(CH3S)(Me3) (Geo)C4H12SSn
  5544 Sn(IV)S2C2 (ACELID) (Geo)C6H12O2S4Sn
  5545 Sn(IV)S2C2 (ACELID) C6H12O2S4Sn
  5546 Tin chlorideClSn
  5547 Tin chloride trihydride (Geo)H3ClSn
  5548 Trimethyltin chlorideC3H9ClSn
  5549 Triethyltin chlorideC6H15ClSn
  5550 Sn(IV)S4Cl(-) (BTHSNA10) (Geo)C14H12S4ClSn
  5551 Sn(IV)S4Cl(-) (BTHSNA10)C14H12S4ClSn
  5552 Tin dichloride (Geo)Cl2Sn
  5553 Tin dichlorideCl2Sn
  5554 Dimethyltin dichlorideC2H6Cl2Sn
  5555 Dimethyltin dichloride (Geo)C2H6Cl2Sn


ΔHf: -73.9 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.
  
 PM7
Sn(IV)S2C2 (ACELID)
 H=-73.9 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.55971809 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.49867743 +1   85.6519966 +1    0.0000000 +0     1     2     0
  C     2.12683969 +1  119.5314606 +1 -102.8628367 +1     1     2     3
  O     2.56571386 +1  119.4891081 +1  179.8153798 +1     2     1     3
  O     2.52610424 +1   80.5758446 +1  179.4998764 +1     3     1     2
  C     2.12664056 +1  119.3358605 +1 -153.9592974 +1     1     2     4
  C     1.31067312 +1   38.5372289 +1   -0.0923768 +1     5     2     1
  C     1.43535926 +1  157.5939505 +1   -0.5130253 +1     5     2     8
  C     1.33741220 +1   42.0358846 +1 -179.6053925 +1     6     3     1
  C     1.42724692 +1  162.1100840 +1   -1.0556741 +1     6     3    10
  H     1.09117542 +1  112.5656167 +1  -95.4125014 +1     4     1     2
  H     1.09259653 +1  112.2519740 +1  121.0089596 +1     4     1    12
  H     1.09406544 +1  110.0416976 +1  119.2863902 +1     4     1    13
  H     1.09255911 +1  112.3093094 +1  -25.0578647 +1     7     1     2
  H     1.09423457 +1  109.9940894 +1 -119.1577134 +1     7     1    15
  H     1.09108986 +1  112.5606732 +1 -119.5873053 +1     7     1    16
  H     1.09541470 +1  110.8550540 +1   62.6448664 +1     9     5     2
  H     1.09989381 +1  101.5739851 +1  117.8530566 +1     9     5    18
  H     1.09546892 +1  110.8519595 +1  117.8489980 +1     9     5    19
  H     1.09545837 +1  110.6844869 +1   63.1450056 +1    11     6     3
  H     1.09543528 +1  110.8188665 +1 -123.5433665 +1    11     6    21
  H     1.09671036 +1  102.1508156 +1 -118.2784575 +1    11     6    22
  S     1.68448974 +1  130.2637687 +1 -179.9465117 +1     8     5     2
  S     1.62168347 +1  127.2815416 +1 -179.8890748 +1    10     6     3