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Geometry for As(CH3)3 (trimethyl arsine) 1A1 C3V

1910171554
InChI=1S/C3H9As/c1-4(2)3/h1-3H3 INChIKey=HTDIUWINAKAPER-UHFFFAOYSA-N

B1B95/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.4934   -0.0000 0.0000 -0.4934
C2 0.0000 1.6797 -0.5414   0.0000 -1.6797 0.5414
C3 1.4547 -0.8399 -0.5414   1.4547 0.8399 0.5414
C4 -1.4547 -0.8399 -0.5414   -1.4547 0.8399 0.5414
H5 0.0000 1.4610 -1.6121   0.0000 -1.4610 1.6121
H6 1.2653 -0.7305 -1.6121   1.2653 0.7305 1.6121
H7 -1.2653 -0.7305 -1.6121   -1.2653 0.7305 1.6121
H8 -0.8879 2.2620 -0.2837   -0.8879 -2.2620 0.2837
H9 2.4029 -0.3621 -0.2837   2.4029 0.3621 0.2837
H10 -1.5150 -1.8999 -0.2837   -1.5150 1.8999 0.2837
H11 0.8879 2.2620 -0.2837   0.8879 -2.2620 0.2837
H12 1.5150 -1.8999 -0.2837   1.5150 1.8999 0.2837
H13 -2.4029 -0.3621 -0.2837   -2.4029 0.3621 0.2837
Atom - Atom Distances (Å)
  As1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
As1 1.9729 1.9729 1.9729 2.5628 2.5628 2.5628 2.5512 2.5512 2.5512 2.5512 2.5512 2.5512
C2 1.9729 2.9094 2.9094 1.0928 2.9252 2.9252 1.0926 3.1637 3.8955 1.0926 3.8955 3.1637
C3 1.9729 2.9094 2.9094 2.9252 1.0928 2.9252 3.8955 1.0926 3.1637 3.1637 1.0926 3.8955
C4 1.9729 2.9094 2.9094 2.9252 2.9252 1.0928 3.1637 3.8955 1.0926 3.8955 3.1637 1.0926
H5 2.5628 1.0928 2.9252 2.9252 2.5306 2.5306 1.7873 3.2958 3.9186 1.7873 3.9186 3.2958
H6 2.5628 2.9252 1.0928 2.9252 2.5306 2.5306 3.9186 1.7873 3.2958 3.2958 1.7873 3.9186
H7 2.5628 2.9252 2.9252 1.0928 2.5306 2.5306 3.2958 3.9186 1.7873 3.9186 3.2958 1.7873
H8 2.5512 1.0926 3.8955 3.1637 1.7873 3.9186 3.2958 4.2088 4.2088 1.7757 4.8057 3.0300
H9 2.5512 3.1637 1.0926 3.8955 3.2958 1.7873 3.9186 4.2088 4.2088 3.0300 1.7757 4.8057
H10 2.5512 3.8955 3.1637 1.0926 3.9186 3.2958 1.7873 4.2088 4.2088 4.8057 3.0300 1.7757
H11 2.5512 1.0926 3.1637 3.8955 1.7873 3.2958 3.9186 1.7757 3.0300 4.8057 4.2088 4.2088
H12 2.5512 3.8955 1.0926 3.1637 3.9186 1.7873 3.2958 4.8057 1.7757 3.0300 4.2088 4.2088
H13 2.5512 3.1637 3.8955 1.0926 3.2958 3.9186 1.7873 3.0300 4.8057 1.7757 4.2088 4.2088
Maximum atom distance is 4.8057Å between atoms H9 and H13.
picture of trimethyl arsine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 As1 C3 95.009 C2 As1 C4 95.009
C3 As1 C4 95.009
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
As1 C2 H5 110.093 As1 C2 H8 109.271
As1 C2 H11 109.271 As1 C3 H6 110.093
As1 C3 H9 109.271 As1 C3 H12 109.271
As1 C4 H7 110.093 As1 C4 H10 109.271
As1 C4 H13 109.271 H5 C2 H8 109.737
H5 C2 H11 109.737 H6 C3 H9 109.737
H6 C3 H12 109.737 H7 C4 H10 109.737
H7 C4 H13 109.737 H8 C2 H11 108.708
H9 C3 H12 108.708 H10 C4 H13 108.708

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.