Accuracy

asasc (arsmet)   4019 AsAsC (ARSMET)

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    #  Species Formula
  4009 As(III)N2Cl (LEWVIS)C4H10N2ClAs
  4010 Methylarsenic dichlorideCH3Cl2As
  4011 Arsenic trichlorideCl3As
  4012 Arsenic trichloride (Geo)Cl3As
  4013 As(III)NCl3 (ASCTMA) (Geo)C3H9NCl3As
  4014 As(III)NCl3 (ASCTMA)C3H9NCl3As
  4015 Arsenic pentachlorideCl5As
  4016 Arsenic pentachloride (Geo)Cl5As
  4017 Arsenic, dimerAs2
  4018 AsAsC (ARSMET) (Geo)C2H6As2
  4019 AsAsC (ARSMET) C2H6As2
  4020 As(V)F4O2(2-) (PYDFAS) (Geo)O2F8As2
  4021 As(V)F4O2(2-) (PYDFAS)O2F8As2
  4022 As(III)2C4 (HIRCIU) (Geo)C4F12As2
  4023 As(III)2C4 (HIRCIU)C4F12As2
  4024 As(V)(III)C4S2 (DMSARS) (Geo)C4H12S2As2
  4025 As(V)(III)C4S2 (DMSARS)C4H12S2As2
  4026 Ti(IV)Cp2F2 (VAJXEJ) (Geo)C10H10F12TiAs2
  4027 Ti(IV)As2S2Cl2 (CIRHUG) (Geo)C18H34S2Cl2TiAs2
  4028 Arsenic, trimerAs3
  4029 As(III)S2C (MARSTA) (Geo)C5H9S3As3


ΔHf: 32.1 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
AsAsC (ARSMET)
 H=32.1 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 As     2.25714851 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.95794315 +1  109.0959782 +1    0.0000000 +0     1     2     0
  C     1.95804421 +1  109.0693533 +1  179.9570880 +1     2     1     3
  H     1.10568946 +1  109.9844921 +1 -119.5687230 +1     3     1     2
  H     1.10555790 +1  109.9046715 +1 -117.0366370 +1     3     1     5
  H     1.10019577 +1  117.6995974 +1 -121.4886402 +1     3     1     6
  H     1.10557592 +1  109.9545075 +1 -122.0632164 +1     4     2     1
  H     1.10020372 +1  117.6810207 +1  121.4524955 +1     4     2     8
  H     1.10561298 +1  109.9530882 +1  121.4440080 +1     4     2     9