Accuracy

as(iii)2c4 (hirciu)   4023 As(III)2C4 (HIRCIU)

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    #  Species Formula
  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
  4030 As(III)S2C (MARSTA)C5H9S3As3
  4031 Arsenic, tetramerAs4
  4032 As(III)O2C (ASOXAD) (Geo)C2H4O4As4
  4033 As(III)O2C (ASOXAD)C2H4O4As4


ΔHf: -624.1 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
As(III)2C4 (HIRCIU)
 H=-624.1 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 As     2.59962838 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.00082465 +1   95.9916302 +1    0.0000000 +0     1     2     0
  F     2.79908373 +1  117.2460418 +1   81.7305007 +1     1     2     3
  F     2.12126264 +1   66.2273095 +1   72.4827072 +1     4     1     2
  F     1.32704428 +1  115.7364540 +1   31.8339602 +1     3     1     2
  F     1.32454700 +1  112.6607543 +1  122.5899272 +1     3     1     6
  F     1.32855253 +1  109.5821552 +1  117.9347791 +1     3     1     7
  C     2.00124029 +1   95.6802367 +1   84.9734520 +1     2     1     3
  F     1.32759244 +1  115.2544350 +1   21.0290776 +1     9     2     1
  F     1.32429944 +1  113.5927212 +1  123.0092616 +1     9     2    10
  F     1.32844300 +1  109.1631759 +1  118.2247142 +1     9     2    11
  C     2.00053312 +1   95.9904502 +1   97.5749525 +1     2     1     9
  F     1.32740891 +1  115.4493264 +1  -25.8536641 +1    13     2     1
  F     1.32433644 +1  113.1659392 +1 -122.7942413 +1    13     2    14
  F     1.32835430 +1  109.3885220 +1 -118.0970648 +1    13     2    15
  C     1.32440376 +1   41.1097216 +1  -34.5860636 +1     4     1     5
  F     1.32719750 +1  106.2806344 +1 -127.4459521 +1    17     4     1