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

as(iii)2c4 (hirciu)   4025 As(III)2C4 (HIRCIU)

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    #  Species Formula
  4015 As(III)NCl3 (ASCTMA) (Geo)C3H9NCl3As
  4016 As(III)NCl3 (ASCTMA)C3H9NCl3As
  4017 Arsenic pentachlorideCl5As
  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
  4028 Ti(IV)Cp2F2 (VAJXEJ) (Geo)C10H10F12TiAs2
  4029 Ti(IV)As2S2Cl2 (CIRHUG) (Geo)C18H34S2Cl2TiAs2
  4030 Arsenic, trimerAs3
  4031 As(III)S2C (MARSTA) (Geo)C5H9S3As3
  4032 As(III)S2C (MARSTA)C5H9S3As3
  4033 Arsenic, tetramerAs4
  4034 As(III)O2C (ASOXAD) (Geo)C2H4O4As4
  4035 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