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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

B3LYP/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.4698   0.0000 0.0000 0.4698
C2 0.0000 1.7309 -0.5157   1.7298 0.0615 -0.5157
C3 1.4990 -0.8655 -0.5157   -0.9182 1.4673 -0.5157
C4 -1.4990 -0.8655 -0.5157   -0.8116 -1.5288 -0.5157
H5 0.0000 1.5816 -1.5973   1.5806 0.0562 -1.5973
H6 1.3697 -0.7908 -1.5973   -0.8390 1.3408 -1.5973
H7 -1.3697 -0.7908 -1.5973   -0.7416 -1.3970 -1.5973
H8 -0.8836 2.3061 -0.2382   2.3360 -0.8011 -0.2382
H9 2.4389 -0.3878 -0.2382   -0.4742 2.4236 -0.2382
H10 -1.5553 -1.9182 -0.2382   -1.8618 -1.6225 -0.2382
H11 0.8836 2.3061 -0.2382   2.2732 0.9650 -0.2382
H12 1.5553 -1.9182 -0.2382   -1.9723 1.4861 -0.2382
H13 -2.4389 -0.3878 -0.2382   -0.3009 -2.4511 -0.2382
Atom - Atom Distances (Å)
  As1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
As1 1.9918 1.9918 1.9918 2.6029 2.6029 2.6029 2.5690 2.5690 2.5690 2.5690 2.5690 2.5690
C2 1.9918 2.9980 2.9980 1.0919 3.0668 3.0668 1.0902 3.2426 3.9765 1.0902 3.9765 3.2426
C3 1.9918 2.9980 2.9980 3.0668 1.0919 3.0668 3.9765 1.0902 3.2426 3.2426 1.0902 3.9765
C4 1.9918 2.9980 2.9980 3.0668 3.0668 1.0919 3.2426 3.9765 1.0902 3.9765 3.2426 1.0902
H5 2.6029 1.0919 3.0668 3.0668 2.7395 2.7395 1.7756 3.4168 4.0639 1.7756 4.0639 3.4168
H6 2.6029 3.0668 1.0919 3.0668 2.7395 2.7395 4.0639 1.7756 3.4168 3.4168 1.7756 4.0639
H7 2.6029 3.0668 3.0668 1.0919 2.7395 2.7395 3.4168 4.0639 1.7756 4.0639 3.4168 1.7756
H8 2.5690 1.0902 3.9765 3.2426 1.7756 4.0639 3.4168 4.2774 4.2774 1.7672 4.8778 3.1106
H9 2.5690 3.2426 1.0902 3.9765 3.4168 1.7756 4.0639 4.2774 4.2774 3.1106 1.7672 4.8778
H10 2.5690 3.9765 3.2426 1.0902 4.0639 3.4168 1.7756 4.2774 4.2774 4.8778 3.1106 1.7672
H11 2.5690 1.0902 3.2426 3.9765 1.7756 3.4168 4.0639 1.7672 3.1106 4.8778 4.2774 4.2774
H12 2.5690 3.9765 1.0902 3.2426 4.0639 1.7756 3.4168 4.8778 1.7672 3.1106 4.2774 4.2774
H13 2.5690 3.2426 3.9765 1.0902 3.4168 4.0639 1.7756 3.1106 4.8778 1.7672 4.2774 4.2774
Maximum atom distance is 4.8778Å between atoms H8 and H12.
picture of trimethyl arsine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 As1 C3 97.628 C2 As1 C4 97.628
C3 As1 C4 97.628
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
As1 C2 H5 111.800 As1 C2 H8 109.419
As1 C2 H11 109.419 As1 C3 H6 111.800
As1 C3 H9 109.419 As1 C3 H12 109.419
As1 C4 H7 111.800 As1 C4 H10 109.419
As1 C4 H13 109.419 H5 C2 H8 108.923
H5 C2 H11 108.923 H6 C3 H9 108.923
H6 C3 H12 108.923 H7 C4 H10 108.923
H7 C4 H13 108.923 H8 C2 H11 108.287
H9 C3 H12 108.287 H10 C4 H13 108.287

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