Accuracy

sn(iv)o4c2 (acdmsn)   5521 Sn(IV)O4C2 (ACDMSN)

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    #  Species Formula
  5511 Sn(IV)N4C (WAYYOK)C12H20N4Sn
  5512 Sn(II)N4 (VURFUJ) (Geo)C22H22N4Sn
  5513 Sn(II)N4 (VURFUJ)C22H22N4Sn
  5514 Sn(IV)(En)3C6H24N6Sn
  5515 Sn(IV)(En)3 (Geo)C6H24N6Sn
  5516 Tin oxide (Geo)OSn
  5517 Tin oxideOSn
  5518 Tin tetramethoxide (Geo)C4H12O4Sn
  5519 Tin tetramethoxideC4H12O4Sn
  5520 Sn(IV)O4C2 (ACDMSN) (Geo)C12H20O4Sn
  5521 Sn(IV)O4C2 (ACDMSN) C12H20O4Sn
  5522 Sn(IV)(H2O)3(OH)3H9O6Sn
  5523 Sn(IV)(H2O)3(OH)3 (Geo)H9O6Sn
  5524 Sn(IV)(H2O)4(OH)2H10O6Sn
  5525 Sn(IV)(H2O)4(OH)2 (Geo)H10O6Sn
  5526 Sn(IV)(H2O)6H12O6Sn
  5527 Sn(IV)(H2O)6 (Geo)H12O6Sn
  5528 Sn(IV)O8 (ACETSN01) (Geo)C8H12O8Sn
  5529 Sn(IV)O8 (ACETSN01)C8H12O8Sn
  5530 Tin fluorideFSn
  5531 Sn(IV)N4CF(+) (ROCVAG) (Geo)C10H26N4FSn


ΔHf: -193.6 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)O4C2 (ACDMSN)
 H=-193.6 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.05469406 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.28098197 +1   74.1193301 +1    0.0000000 +0     1     2     0
  C     2.14993867 +1  113.6999745 +1  -71.4235962 +1     1     2     3
  C     4.60390463 +1  140.8616541 +1 -105.7641152 +1     1     2     4
  C     4.36868615 +1   72.5144109 +1   -2.4656374 +1     1     2     5
  O     2.27980398 +1   73.1760015 +1 -179.8030446 +1     1     6     2
  O     2.05457796 +1   71.8023656 +1  179.0198035 +1     1     2     3
  C     2.14940889 +1  114.6998234 +1 -108.4186507 +1     1     2     8
  C     1.26206242 +1  141.7669726 +1   -0.5676636 +1     2     1     3
  C     1.24068521 +1  135.2841789 +1    0.4105626 +1     3     1     2
  C     1.41260958 +1  123.7023401 +1   -0.2389008 +1    11     3     1
  C     1.50270402 +1  113.4696941 +1 -179.5205294 +1    10     2     1
  C     1.50508110 +1  116.6570357 +1  179.9763061 +1    11     3    12
  H     1.09151160 +1  109.6851686 +1 -158.0496111 +1     4     1     2
  H     1.08710619 +1  111.1693290 +1  120.6469845 +1     4     1    15
  H     1.09194066 +1  109.3714414 +1  120.3479168 +1     4     1    16
  H     1.09725765 +1  118.1540537 +1   73.0301958 +1     5     1     2
  H     1.09934175 +1   87.9323224 +1  109.0566799 +1     5     1    18
  H     1.09654654 +1  123.8010096 +1  110.2319587 +1     5     1    19
  H     1.09714325 +1  123.8722388 +1  106.7277570 +1     6     1     2
  H     1.10144450 +1   81.9734596 +1 -106.1329543 +1     6     1    21
  H     1.09797184 +1  121.6610574 +1 -105.7664189 +1     6     1    22
  H     1.09182912 +1  109.5023423 +1  156.7416835 +1     9     1     2
  H     1.08704481 +1  111.2882018 +1 -120.5705194 +1     9     1    24
  H     1.09192519 +1  109.4105704 +1 -120.4491828 +1     9     1    25
  H     1.09764707 +1  111.0126570 +1 -120.5264713 +1    13    10     2
  H     1.09778284 +1  110.9440850 +1 -119.9776461 +1    13    10    27
  H     1.10118947 +1  111.3872681 +1 -119.9531778 +1    13    10    28
  H     1.09927375 +1  111.4019874 +1    0.5274903 +1    14    11     3
  H     1.09687092 +1  110.9947185 +1  120.1851040 +1    14    11    30
  H     1.09699149 +1  110.9208821 +1  119.7336662 +1    14    11    31
  H     2.72339529 +1   77.8520441 +1   64.7511502 +1    20     5     1
  H     1.07733975 +1  119.4897760 +1  179.9138393 +1    12    11     3
  C     1.24088814 +1  135.3704965 +1 -114.4967534 +1     7     1     4
  C     1.26207668 +1  141.9285794 +1  173.6804983 +1     8     1     2
  C     1.07707955 +1   83.4906484 +1  -47.4632699 +1    33    20     5