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

as(iii)s2c (marsta)   4032 As(III)S2C (MARSTA)

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    #  Species Formula
  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
  4036 Arsenic trioxide dimerO6As4
  4037 As4O6O6As4
  4038 As4O6 (Geo)O6As4
  4039 As(III)As2C (ASMETH) (Geo)C5H15As5
  4040 As(III)As2C (ASMETH)C5H15As5
  4041 Selenium, cationSe
  4042 Selenium, atomSe


ΔHf: 4.9 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)S2C (MARSTA)
 H=4.9 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 As     3.66420233 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.24734772 +1   35.3894918 +1    0.0000000 +0     1     2     0
  C     1.98906403 +1   74.2714707 +1  138.1591597 +1     1     2     3
  S     2.24717160 +1   89.0406507 +1  101.8986809 +1     1     2     4
  C     1.98903923 +1   74.2722645 +1 -138.1553800 +1     2     1     3
  C     2.58548938 +1  105.7245965 +1   62.5968261 +1     4     1     2
  C     1.55029435 +1  123.8549425 +1  -31.3051357 +1     4     1     7
  C     1.55767483 +1  105.6256099 +1 -179.9981742 +1     8     4     1
  H     1.11863945 +1  105.7420978 +1  124.7279284 +1     4     1     8
  H     1.11870878 +1  105.7371374 +1  110.5522584 +1     4     1    10
  H     1.11873494 +1  105.7429595 +1   93.4244902 +1     6     2     1
  H     1.11871614 +1  105.7452007 +1  110.5607680 +1     6     2    12
  H     1.11871181 +1   88.8959102 +1  106.0361936 +1     7     4     1
  H     1.11864716 +1  140.6613998 +1  111.8743602 +1     7     4    14
  H     1.09431661 +1  111.5468215 +1  -59.8627475 +1     9     8     4
  H     1.09433419 +1  111.5505111 +1 -119.9946745 +1     9     8    16
  H     1.09434585 +1  111.5536270 +1 -120.0032085 +1     9     8    17
 As     1.98909039 +1  105.7227150 +1  142.0477791 +1     7     4    15
  S     2.24700743 +1  101.1996245 +1  -85.8461045 +1    19     7     4