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

c6h5-ch2-se-se-ch2-c6h5   4092 C6H5-CH2-Se-Se-CH2-C6H5

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    #  Species Formula
  4082 Selenium dichlorideCl2Se
  4083 Selenyl chloride (Geo)OCl2Se
  4084 SeCl6(=) (Geo)Cl6Se
  4085 Zinc selenideZnSe
  4086 Germanium selenideGeSe
  4087 Germanium selenide (Geo)GeSe
  4088 Arsenic selenideAsSe
  4089 Carbon diselenideCSe2
  4090 Me-Se-Se-Me (Geo)C2H6Se2
  4091 (C6H5)-Se-Se-(C6H5)C12H10Se2
  4092 C6H5-CH2-Se-Se-CH2-C6H5 C14H14Se2
  4093 ClSeSeClCl2Se2
  4094 Diselenium dichloride (Geo)Cl2Se2
  4095 Mn(CO)3ClSe2 (GONTIM) (Geo)C7H10O3ClMnSe2
  4096 Tetramethyldiselenagermacyclohexane (Geo)C7H16GeSe2
  4097 Selenium, trimerSe3
  4098 P4Se3 (Geo)P4Se3
  4099 Se4Cl16Cl16Se4
  4100 Se4Cl16 (Geo)Cl16Se4
  4101 Bromine, cation (Br(+))Br
  4102 Bromine, atomBr


ΔHf: 52.2 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
C6H5-CH2-Se-Se-CH2-C6H5
 H=52.2 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39264535 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39344220 +1  120.1893163 +1    0.0000000 +0     2     1     0
  C     1.39448486 +1  119.8152943 +1   -0.5874832 +1     3     2     1
  C     1.39154975 +1  120.1973806 +1    0.5605961 +1     4     3     2
  C     1.39994563 +1  120.1777057 +1    0.3345796 +1     5     4     3
  C     1.47367412 +1  120.4105388 +1  177.4695479 +1     6     5     4
 Se     1.96820217 +1  110.5925964 +1  -81.4292208 +1     7     6     5
 Se     2.41617818 +1  101.2779395 +1  -61.7880601 +1     8     7     6
  C     1.96611623 +1  102.5410701 +1   85.8274387 +1     9     8     7
  C     1.47363907 +1  111.4766515 +1   53.4720274 +1    10     9     8
  C     1.39874449 +1  120.0448054 +1  -94.9761540 +1    11    10     9
  C     1.39946098 +1  120.4888620 +1   84.5275770 +1    11    10     9
  C     1.39180558 +1  120.1323005 +1 -179.1269779 +1    13    11    10
  C     1.39437358 +1  120.2063650 +1    0.0065472 +1    14    13    11
  C     1.39367584 +1  119.8341449 +1   -0.2175343 +1    15    14    13
  H     1.08831047 +1  119.8452287 +1  179.8044164 +1     1     2     3
  H     1.08863727 +1  119.8148131 +1 -179.9231165 +1     2     1     3
  H     1.08764593 +1  120.1174041 +1  179.5855347 +1     3     2     1
  H     1.08889624 +1  119.9032581 +1 -179.5020266 +1     4     3     2
  H     1.08831797 +1  119.9972604 +1  179.9382479 +1     5     4     3
  H     1.08990742 +1  119.9123694 +1   -1.1882281 +1    12    11    10
  H     1.08814012 +1  120.0650149 +1 -179.9153824 +1    16    15    14
  H     1.08683439 +1  120.0510958 +1  179.8640853 +1    15    14    13
  H     1.08784765 +1  119.8670509 +1  179.9437474 +1    14    13    11
  H     1.08749042 +1  119.8867436 +1    0.5108871 +1    13    11    10
  H     1.09548203 +1  113.7527454 +1  156.7436059 +1     7     6     5
  H     1.09913872 +1  113.6171559 +1   33.3684844 +1     7     6     5
  H     1.09883065 +1  102.5931922 +1  175.5438858 +1    10     9     8
  H     1.09958756 +1  107.6074837 +1  -71.2661755 +1    10     9     8