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

te(iv)s4br2 (bawfio)   5799 Te(IV)S4Br2 (BAWFIO)

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    #  Species Formula
  5789 Zinc tellurideZnTe
  5790 Germanium telluride (Geo)GeTe
  5791 Arsenic tellurideAsTe
  5792 Selenium tellurideSeTe
  5793 Et3TeBrC6H15BrTe
  5794 Et3TeBr (Geo)C6H15BrTe
  5795 Tellurium dibromide (Geo)Br2Te
  5796 Te(IV)C2Br2 (COQNOL) (Geo)C2H6Br2Te
  5797 Te(IV)C2Br2 (COQNOL)C2H6Br2Te
  5798 Te(IV)S4Br2 (BAWFIO) (Geo)C10H20N2S4Br2Te
  5799 Te(IV)S4Br2 (BAWFIO) C10H20N2S4Br2Te
  5800 Tellurium tetrabromide (Geo)Br4Te
  5801 Te(IV)Br6(2-) (CIXRIK) (Geo)Br6Te
  5802 Te(IV)Br6(2-) (CIXRIK)Br6Te
  5803 TeBr6(=)Br6Te
  5804 TeBr6(=) (Geo)Br6Te
  5805 Indium(I) telluride (Geo)In2Te
  5806 Tin telluride (Geo)SnTe
  5807 Tin tellurideSnTe
  5808 Tellurium, dimer (Geo)Te2
  5809 Bis(pentafluorotellurium)oxide (Geo)OF10Te2


ΔHf: -43.6 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
Te(IV)S4Br2 (BAWFIO)
 H=-43.6 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.57937606 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.58684238 +1   82.4944894 +1    0.0000000 +0     1     2     0
  S     2.46012328 +1   88.1609519 +1  -96.7115725 +1     1     2     3
  S     2.63047225 +1   82.1979942 +1  -69.8240968 +1     1     2     4
  C     1.79855131 +1   89.8341637 +1  -69.1682453 +1     4     1     2
  N     1.30461669 +1  123.9186466 +1  163.7701493 +1     6     4     1
  C     1.48281949 +1  122.4220838 +1   -6.5823519 +1     7     6     4
  C     1.48201305 +1  123.1395912 +1 -178.8652410 +1     7     6     8
  C     1.52655225 +1  110.6649560 +1   91.6893868 +1     8     7     6
  C     1.52713167 +1  110.3839193 +1   88.4035659 +1     9     7     6
  S     3.44462764 +1  104.0574653 +1  102.7987990 +1     1     2     5
  S     2.60112995 +1  159.9163585 +1   22.5971071 +1     1     2    12
  C     1.76750219 +1  103.8287667 +1  -13.9476660 +1    13     1     2
  N     1.32328918 +1  120.6667096 +1  156.2168025 +1    14    13     1
  C     1.48303523 +1  122.0968327 +1 -176.5988676 +1    15    14    13
  C     1.48135038 +1  122.8951702 +1  173.4746962 +1    15    14    16
  C     1.52721746 +1  111.7875088 +1   81.0919097 +1    16    15    14
  C     1.52742675 +1  111.7041796 +1  -83.5627453 +1    17    15    14
  H     1.11906288 +1  110.1867924 +1 -122.7203886 +1     8     7    10
  H     1.11487375 +1  108.6821014 +1 -115.2033620 +1     8     7    20
  H     1.11488026 +1  108.8380130 +1  121.8093669 +1     9     7    11
  H     1.11610341 +1  110.4974246 +1  115.4704580 +1     9     7    22
  H     1.10102839 +1  111.7875139 +1  -59.4027011 +1    10     8     7
  H     1.09539109 +1  112.4257202 +1  120.6208992 +1    10     8    24
  H     1.09805687 +1  110.6984053 +1  120.6547778 +1    10     8    25
  H     1.09661582 +1  112.3371038 +1   59.0018262 +1    11     9     7
  H     1.10138080 +1  111.8978075 +1 -120.1003616 +1    11     9    27
  H     1.09757508 +1  110.9059602 +1 -119.1385755 +1    11     9    28
  H     1.11504302 +1  108.6240222 +1  121.8711967 +1    16    15    18
  H     1.11834918 +1  109.8724277 +1  114.9232102 +1    16    15    30
  H     1.11556994 +1  108.5753361 +1 -121.7579504 +1    17    15    19
  H     1.11690013 +1  110.2704251 +1 -114.8041972 +1    17    15    32
  H     1.09582238 +1  112.2691157 +1   65.0673578 +1    18    16    15
  H     1.09797078 +1  110.7438064 +1  120.6679353 +1    18    16    34
  H     1.10120204 +1  112.4303078 +1  119.0493164 +1    18    16    35
  H     1.09750079 +1  110.7824689 +1  174.6743139 +1    19    17    15
  H     1.09630291 +1  112.2212875 +1  120.5254852 +1    19    17    37
  H     1.10039361 +1  112.2571262 +1  120.3276992 +1    19    17    38