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

sn(iv)c3ocl (aceyiq)   5609 Sn(IV)C3OCl (ACEYIQ)

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    #  Species Formula
  5599 Sn(II)Br3(-) (BITYAE) (Geo)Br3Sn
  5600 Sn(II)Br3(-) (BITYAE)Br3Sn
  5601 Tin tetrabromide (Geo)Br4Sn
  5602 Tin tetrabromideBr4Sn
  5603 Sn(IV)Br6(2-) (BUJPUR) (Geo)Br6Sn
  5604 Sn(IV)Br6(2-) (BUJPUR)Br6Sn
  5605 HexamethylditinC6H18Sn2
  5606 HexaphenyldistannaneC36H30Sn2
  5607 (C6H5)3Sn-O-Sn(c6h5)3C36H30OSn2
  5608 Sn(IV)C3OCl (ACEYIQ) (Geo)C9H24OSCl2Sn2
  5609 Sn(IV)C3OCl (ACEYIQ) C9H24OSCl2Sn2
  5610 Sn(iv)Cl4O2 (GIMYEH) (Geo)H6O4Cl6Sn2
  5611 Antimony, dicationSb
  5612 Antimony, cationSb
  5613 Antimony, atomSb
  5614 Stibine (Geo)H3Sb
  5615 StibineH3Sb
  5616 Trimethyl stibine (Geo)C3H9Sb
  5617 Trimethyl stibineC3H9Sb
  5618 TrimethylstibineC3H9Sb
  5619 Sb(V)C4(+) (BOHSIA) (Geo)C4H12Sb


ΔHf: -102.6 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)C3OCl (ACEYIQ)
 H=-102.6 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sn     3.52433088 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.37041175 +1  140.9257030 +1    0.0000000 +0     1     2     0
  O     3.13304359 +1   39.5544417 +1 -172.2860927 +1     1     2     3
  C     2.19495467 +1   35.8938073 +1    3.9143408 +1     2     1     3
  C     1.53770694 +1  110.2764299 +1 -120.8000723 +1     5     2     1
  H     1.09987156 +1  111.6628359 +1 -179.2013415 +1     6     5     2
  H     1.09486931 +1  114.3842625 +1 -121.9688703 +1     6     5     7
  H     1.10241876 +1  111.3789094 +1 -120.8488052 +1     6     5     8
  C     1.53669263 +1  110.2433922 +1 -117.8500261 +1     5     2     6
  H     1.10211319 +1  111.3039759 +1   61.1353099 +1    10     5     2
  H     1.09560055 +1  114.2407367 +1 -120.8953785 +1    10     5    11
  H     1.09997210 +1  111.6200073 +1 -121.7350254 +1    10     5    12
  C     2.13335652 +1   97.3952245 +1  -67.5680423 +1     1     2     4
  H     1.08641501 +1  112.3732288 +1  108.5977356 +1    14     1     2
  H     1.08912799 +1  112.0233250 +1 -122.4066251 +1    14     1    15
  H     1.09301389 +1  109.1867515 +1 -118.6483361 +1    14     1    16
  C     2.12992332 +1   99.7465395 +1  115.1576101 +1     1     2    14
  H     1.08651363 +1  112.2988615 +1 -133.0455781 +1    18     1     2
  H     1.09235144 +1  110.1818471 +1 -119.5547208 +1    18     1    19
  H     1.09122400 +1  110.5286604 +1 -118.6799993 +1    18     1    20
  C     2.15267360 +1  104.6783656 +1 -116.5352227 +1     2     1     5
  H     1.09395441 +1  107.6976860 +1  112.4126401 +1    22     2     1
  H     1.08500731 +1  112.5256749 +1 -118.1840635 +1    22     2    23
  H     1.08415489 +1  112.1780668 +1 -124.2542601 +1    22     2    24
  C     2.14890017 +1  113.2722728 +1 -134.5696678 +1     2     1    22
  H     1.09132483 +1  109.3566880 +1 -100.3361054 +1    26     2     1
  H     1.08511938 +1  111.2580510 +1 -118.9167613 +1    26     2    27
  H     1.08712359 +1  110.7877504 +1 -121.7441221 +1    26     2    28
  S     1.50625788 +1  122.4531183 +1 -140.7376654 +1     4     1     2
  C     1.80966494 +1  105.3795834 +1  179.2772110 +1    30     4     1
  H     1.09911355 +1  110.2842440 +1  -81.8997182 +1    31    30     4
  H     1.09938575 +1  112.8351147 +1  118.0005533 +1    31    30    32
  C     1.81197240 +1  103.7306115 +1  103.3780422 +1    30     4    31
  H     1.09998803 +1  110.0986842 +1   65.1816897 +1    34    30     4
  H     1.09622562 +1  113.4903245 +1 -118.3530851 +1    34    30    35
  H     1.09194513 +1  112.5210383 +1  122.0478359 +1    31    30    33
  H     1.09229187 +1  111.7657443 +1 -122.2323912 +1    34    30    36
 Cl     2.41161679 +1  131.1926831 +1 -117.5930658 +1     2     1    26