Accuracy

arsenic trioxide dimer   4034 Arsenic trioxide dimer

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    #  Species Formula
  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
  4034 Arsenic trioxide dimer O6As4
  4035 As4O6O6As4
  4036 As4O6 (Geo)O6As4
  4037 As(III)As2C (ASMETH) (Geo)C5H15As5
  4038 As(III)As2C (ASMETH)C5H15As5
  4039 Selenium, cationSe
  4040 Selenium, atomSe
  4041 Selenyl radicalHSe
  4042 Hydrogen selenide (Geo)H2Se
  4043 Hydrogen selenideH2Se
  4044 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
 
   2  1    3    4    5    6    7
   8  1    9   10   11