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

sn(iv)s2c2 (acelid)   5547 Sn(IV)S2C2 (ACELID)

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    #  Species Formula
  5537 Dimethyltin difluorideC2H6F2Sn
  5538 Tetrafluorostannane (Geo)F4Sn
  5539 TetrafluorostannaneF4Sn
  5540 Sn(IV)F6(2-) (JOZXIF) (Geo)F6Sn
  5541 Sn(IV)F6(2-) (JOZXIF)F6Sn
  5542 Tin sulfide (Geo)SSn
  5543 Tin sulfideSSn
  5544 Sn(CH3S)(Me3)C4H12SSn
  5545 Sn(CH3S)(Me3) (Geo)C4H12SSn
  5546 Sn(IV)S2C2 (ACELID) (Geo)C6H12O2S4Sn
  5547 Sn(IV)S2C2 (ACELID) C6H12O2S4Sn
  5548 Tin chlorideClSn
  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


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