Accuracy

arsenic nitride   3979 Arsenic nitride

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    #  Species Formula
  3969 Arsenic, atomAs
  3970 Arsine radical (Geo)H2As
  3971 ArsineH3As
  3972 Arsine (Geo)H3As
  3973 Trimethylarsine (Geo)C3H9As
  3974 TrimethylarsineC3H9As
  3975 As(V)C4(+) (MASINC10) (Geo)C4H12As
  3976 As(V)C4(+) (MASINC10)C4H12As
  3977 Triethylarsine (DFT)C6H15As
  3978 TriphenylarsineC18H15As
  3979 Arsenic nitride NAs
  3980 AsH2-NH2H4NAs
  3981 AsH2-NH2 (Geo)H4NAs
  3982 As(III)C3 (CNMARS) (Geo)C3H6NAs
  3983 As(III)C3 (CNMARS)C3H6NAs
  3984 Arsenic tricyanide (Geo)C3N3As
  3985 As(V)C3O (ASOXCA) (Geo)C3H9OAs
  3986 As(V)C3O (ASOXCA)C3H9OAs
  3987 As(OH)3H3O3As
  3988 As(OH)3 (Geo)H3O3As
  3989 Trimethyl arseniteC3H9O3As


ΔHf: 80.6 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.
  
 UHF TRIPLET PM7
Arsenic nitride
 H=80.6 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.42813890 +1    0.0000000 +0    0.0000000 +0     1     0     0