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

as(iii)c3 (cnmars)   3985 As(III)C3 (CNMARS)

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    #  Species Formula
  3975 Trimethylarsine (Geo)C3H9As
  3976 TrimethylarsineC3H9As
  3977 As(V)C4(+) (MASINC10) (Geo)C4H12As
  3978 As(V)C4(+) (MASINC10)C4H12As
  3979 Triethylarsine (DFT)C6H15As
  3980 TriphenylarsineC18H15As
  3981 Arsenic nitrideNAs
  3982 AsH2-NH2H4NAs
  3983 AsH2-NH2 (Geo)H4NAs
  3984 As(III)C3 (CNMARS) (Geo)C3H6NAs
  3985 As(III)C3 (CNMARS) C3H6NAs
  3986 Arsenic tricyanide (Geo)C3N3As
  3987 As(V)C3O (ASOXCA) (Geo)C3H9OAs
  3988 As(V)C3O (ASOXCA)C3H9OAs
  3989 As(OH)3H3O3As
  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


ΔHf: 45.0 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)C3 (CNMARS)
 H=45 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.96938218 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.96842219 +1  102.6658219 +1    0.0000000 +0     1     2     0
  C     1.88895581 +1   98.5343515 +1 -101.0662804 +1     1     2     3
  N     1.15854967 +1  139.7352175 +1  175.2488792 +1     4     2     1
  H     1.10301467 +1  110.7459782 +1  -74.9733052 +1     2     1     3
  H     1.10358011 +1  111.1041520 +1 -118.3109967 +1     2     1     6
  H     1.09938244 +1  115.5066007 +1 -120.7928082 +1     2     1     7
  H     1.10324424 +1  110.6896147 +1   76.5242263 +1     3     1     2
  H     1.10362996 +1  111.2036896 +1  118.2805212 +1     3     1     9
  H     1.09943393 +1  115.5254207 +1  120.8247057 +1     3     1    10