Accuracy

sn(iv)s4br2 (carsna)   5596 Sn(IV)S4Br2 (CARSNA)

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    #  Species Formula
  5586 Tin bromideBrSn
  5587 Tin bromide trihydride (Geo)H3BrSn
  5588 Trimethyltin bromide (Geo)C3H9BrSn
  5589 Trimethyltin bromideC3H9BrSn
  5590 Tri-n-butyltin bromideC12H27BrSn
  5591 Tin dibromide (Geo)Br2Sn
  5592 Tin dibromideBr2Sn
  5593 Dimethyltin dibromide (Geo)C2H6Br2Sn
  5594 Dimethyltin dibromideC2H6Br2Sn
  5595 Sn(IV)S4Br2 (CARSNA) (Geo)C6H10O2S4Br2Sn
  5596 Sn(IV)S4Br2 (CARSNA) C6H10O2S4Br2Sn
  5597 Sn(II)Br3(-) (BITYAE) (Geo)Br3Sn
  5598 Sn(II)Br3(-) (BITYAE)Br3Sn
  5599 Tin tetrabromide (Geo)Br4Sn
  5600 Tin tetrabromideBr4Sn
  5601 Sn(IV)Br6(2-) (BUJPUR) (Geo)Br6Sn
  5602 Sn(IV)Br6(2-) (BUJPUR)Br6Sn
  5603 HexamethylditinC6H18Sn2
  5604 HexaphenyldistannaneC36H30Sn2
  5605 (C6H5)3Sn-O-Sn(c6h5)3C36H30OSn2
  5606 Sn(IV)C3OCl (ACEYIQ) (Geo)C9H24OSCl2Sn2


ΔHf: -103.0 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)S4Br2 (CARSNA)
 H=-103.0 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.66292093 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.57910718 +1   67.7937578 +1    0.0000000 +0     1     2     0
 Br     2.41854964 +1   89.9532849 +1 -103.0269946 +1     1     2     3
  C     1.71245543 +1   87.0733487 +1    0.5285436 +1     2     1     3
  O     1.29960805 +1  116.3105423 +1  179.0161880 +1     5     2     1
  C     1.45589066 +1  120.0503608 +1 -179.7156678 +1     6     5     2
  C     1.51489385 +1  102.3493882 +1  179.0634734 +1     7     6     5
  H     1.10000018 +1  111.8069875 +1  -60.1133377 +1     8     7     6
  H     1.10005103 +1  111.8033580 +1  119.6601465 +1     8     7     9
  H     1.09862160 +1  110.9879685 +1  120.1496414 +1     8     7    10
  H     1.10484233 +1  108.5955470 +1  119.7218226 +1     7     6     8
  H     1.10482654 +1  108.8067594 +1  120.5256250 +1     7     6    12
 Br     2.41540800 +1  161.3025512 +1  120.6705074 +1     1     2     4
  S     2.58213405 +1   92.6923404 +1  145.2668642 +1     1     2    14
  S     2.65456441 +1   84.4216735 +1  -67.4456217 +1     1     2    15
  C     1.71443044 +1   87.2065168 +1   95.4269504 +1    16     1     2
  O     1.29928390 +1  116.1779094 +1  179.5404522 +1    17    16     1
  C     1.45598813 +1  120.0806434 +1 -179.8925751 +1    18    17    16
  C     1.51489250 +1  102.3011645 +1  179.1688672 +1    19    18    17
  H     1.10490634 +1  108.6082672 +1  119.7107160 +1    19    18    20
  H     1.10472696 +1  108.8146195 +1  120.5347810 +1    19    18    21
  H     1.09992522 +1  111.8133374 +1  -60.8755012 +1    20    19    18
  H     1.10015524 +1  111.7896408 +1  119.6622789 +1    20    19    23
  H     1.09861728 +1  111.0077947 +1  120.1303990 +1    20    19    24