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

arsenic trioxide dimer   4036 Arsenic trioxide dimer

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    #  Species Formula
  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 dimer O6As4
  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
  4043 Selenyl radicalHSe
  4044 Hydrogen selenide (Geo)H2Se
  4045 Hydrogen selenideH2Se
  4046 Selenium carbide (Geo)CSe


I.P.: 10.0 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PULAY PM7
Arsenic trioxide dimer
 I=10.01 IR=LLNBS82
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.92141367 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.92141367 +0   90.0000000 +0    0.0000000 +0     2     1     0
  O     1.92141367 +0  180.0000000 +0    0.0000000 +0     2     1     3
  O     1.92141367 +0  180.0000000 +0    0.0000000 +0     2     3     4
  O     1.92141367 +0   90.0000000 +0   90.0000000 +0     2     1     3
  O     1.92141367 +0  180.0000000 +0    0.0000000 +0     2     6     3
 As     1.97842564 +1   54.7367260 +1   44.9996932 +1     2     1     3
 As     1.97842564 +0  109.5000000 +0   60.0000000 +0     2     8     5
 As     1.97842564 +0  109.5000000 +0  180.0000000 +0     2     8     5
 As     1.97842564 +0  109.5000000 +0  -60.0000000 +0     2     8     5