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

arsenic pentachloride   4017 Arsenic pentachloride

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    #  Species Formula
  4007 Trisilylarsine (Geo)H9Si3As
  4008 Arsenic sulfideSAs
  4009 Dimethylarsenic chlorideC2H6ClAs
  4010 As(III)N2Cl (LEWVIS) (Geo)C4H10N2ClAs
  4011 As(III)N2Cl (LEWVIS)C4H10N2ClAs
  4012 Methylarsenic dichlorideCH3Cl2As
  4013 Arsenic trichlorideCl3As
  4014 Arsenic trichloride (Geo)Cl3As
  4015 As(III)NCl3 (ASCTMA) (Geo)C3H9NCl3As
  4016 As(III)NCl3 (ASCTMA)C3H9NCl3As
  4017 Arsenic pentachloride Cl5As
  4018 Arsenic pentachloride (Geo)Cl5As
  4019 Arsenic, dimerAs2
  4020 AsAsC (ARSMET) (Geo)C2H6As2
  4021 AsAsC (ARSMET)C2H6As2
  4022 As(V)F4O2(2-) (PYDFAS) (Geo)O2F8As2
  4023 As(V)F4O2(2-) (PYDFAS)O2F8As2
  4024 As(III)2C4 (HIRCIU) (Geo)C4F12As2
  4025 As(III)2C4 (HIRCIU)C4F12As2
  4026 As(V)(III)C4S2 (DMSARS) (Geo)C4H12S2As2
  4027 As(V)(III)C4S2 (DMSARS)C4H12S2As2


ΔHf: -65.1 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
Arsenic pentachloride
 H=-65.1 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.17327188 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.19971877 +1   90.0003060 +1    0.0000000 +0     1     2     0
 Cl     2.17323323 +1  120.0212559 +1  -90.0006543 +1     1     2     3
 Cl     2.17328049 +1  119.9875480 +1 -179.9929449 +1     1     2     4
 Cl     2.19972590 +1   89.9984670 +1   90.0028894 +1     1     2     5