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

se4cl16r   4100 Se4Cl16 (Geo)

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    #  Species Formula
  4090 Me-Se-Se-Me (Geo)C2H6Se2
  4091 (C6H5)-Se-Se-(C6H5)C12H10Se2
  4092 C6H5-CH2-Se-Se-CH2-C6H5C14H14Se2
  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
  4103 Bromide, anionBr
  4104 Hydrogen bromide, cationHBr
  4105 Hydrogen bromide (Geo)HBr
  4106 Hydrogen bromideHBr
  4107 Helium bromide anion (Geo)HeBr
  4108 Lithium bromide (Geo)LiBr
  4109 Lithium bromideLiBr
  4110 Beryllium bromideBeBr


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.
  
 SHIFT=80 PULAY SYMMETRY PM7
Se4Cl16
 <Se-Se> <Se-Cl><><> <><> <><> <><> <Se-Cl'> GR=PW91D
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Se     4.25542800 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Se     4.25542800 +0   60.0000000 +0    0.0000000 +0     1     2     0
 Se     4.25542800 +0   60.0000000 +0  -70.5287810 +0     2     1     3
 Cl     2.81328800 +1   37.2128192 +1  -40.7892958 +1     1     2     3
 Cl     2.81328800 +0   37.2806947 +1  -40.9578538 +1     4     2     1
 Cl     2.81328800 +0   78.1685508 +1   34.5536389 +1     4     2     1
 Cl     2.81328800 +0   78.2854071 +1  -38.0370251 +1     2     1     3
 Cl     2.25435400 +1  136.1293816 +1  121.4197205 +1     4     2     1
 Cl     2.25435400 +0   87.5381022 +1 -141.1536144 +1     4     2     1
 Cl     2.25435400 +0  125.5309544 +1  -43.9602272 +1     4     2     1
 Cl     2.25435400 +0   87.0117356 +1 -141.5935857 +1     3     1     2
 Cl     2.25435400 +0  128.0753402 +1  122.0201166 +1     3     1     2
 Cl     2.25435400 +0  134.0991336 +1  -44.7799709 +1     3     1     2
 Cl     2.25435400 +0   82.6881956 +1 -143.0536735 +1     1     2     3
 Cl     2.25435400 +0  132.5173267 +1  123.8125662 +1     1     2     3
 Cl     2.25435400 +0  130.0953120 +1  -51.2204027 +1     1     2     3
 Cl     2.25435400 +0  133.4077964 +1   43.5263105 +1     2     1     3
 Cl     2.25435400 +0  128.1646586 +1 -118.4347681 +1     2     1     3
 Cl     2.25435400 +0   89.4980792 +1  142.8361710 +1     2     1     3