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

arsenic trifluoride   4000 Arsenic trifluoride

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    #  Species Formula
  3990 As(OH)3 (Geo)H3O3As
  3991 Trimethyl arseniteC3H9O3As
  3992 As(V)O3C (ARSACP) (Geo)C6H7O3As
  3993 As(V)O3C (ARSACP)C6H7O3As
  3994 Triethyl arseniteC6H15O3As
  3995 Tri-n-propyl arseniteC9H21O3As
  3996 As(V)O4(-) (DAYQAV) (Geo)H2O4As
  3997 As(V)O4(-) (DAYQAV)H2O4As
  3998 As(V)O5 (HTOASP) (Geo)C4H9O5As
  3999 As(V)O5 (HTOASP)C4H9O5As
  4000 Arsenic trifluoride F3As
  4001 Arsenic trifluoride (Geo)F3As
  4002 Arsenic pentafluorideF5As
  4003 Arsenic pentafluoride (Geo)F5As
  4004 As(V)F6(-) (BONMOG) (Geo)F6As
  4005 As(V)F6(-) (BONMOG)F6As
  4006 Triperfluoromethylarsine (Geo)C3F9As
  4007 Trisilylarsine (Geo)H9Si3As
  4008 Arsenic sulfideSAs
  4009 Dimethylarsenic chlorideC2H6ClAs
  4010 As(III)N2Cl (LEWVIS) (Geo)C4H10N2ClAs


ΔHf: -187.8 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 12.3 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 PM7
Arsenic trifluoride
 H=-187.80 HR=WEPS1982 I=12.3 IR=LLNBS82 S=69.1 CP=15.68
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 As     1.70291100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.70291100 +0   99.7455205 +1    0.0000000 +0     2     1     0
  F     1.70291100 +0   99.7455205 +0 -101.8336556 +1     2     1     3