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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

B3PW91/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.4687   0.0000 -0.0000 0.4687
C2 0.0000 1.6981 -0.5159   1.6981 0.0000 -0.5159
C3 1.4706 -0.8490 -0.5159   -0.8490 1.4706 -0.5159
C4 -1.4706 -0.8490 -0.5159   -0.8490 -1.4706 -0.5159
H5 0.0000 1.5349 -1.5980   1.5349 0.0000 -1.5980
H6 1.3293 -0.7675 -1.5980   -0.7675 1.3293 -1.5980
H7 -1.3293 -0.7675 -1.5980   -0.7675 -1.3293 -1.5980
H8 -0.8850 2.2743 -0.2311   2.2743 -0.8850 -0.2311
H9 2.4121 -0.3707 -0.2311   -0.3707 2.4121 -0.2311
H10 -1.5271 -1.9036 -0.2311   -1.9036 -1.5271 -0.2311
H11 0.8850 2.2743 -0.2311   2.2743 0.8850 -0.2311
H12 1.5271 -1.9036 -0.2311   -1.9036 1.5271 -0.2311
H13 -2.4121 -0.3707 -0.2311   -0.3707 -2.4121 -0.2311
Atom - Atom Distances (Å)
  As1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
As1 1.9628 1.9628 1.9628 2.5743 2.5743 2.5743 2.5388 2.5388 2.5388 2.5388 2.5388 2.5388
C2 1.9628 2.9411 2.9411 1.0943 3.0028 3.0028 1.0938 3.1905 3.9224 1.0938 3.9224 3.1905
C3 1.9628 2.9411 2.9411 3.0028 1.0943 3.0028 3.9224 1.0938 3.1905 3.1905 1.0938 3.9224
C4 1.9628 2.9411 2.9411 3.0028 3.0028 1.0943 3.1905 3.9224 1.0938 3.9224 3.1905 1.0938
H5 2.5743 1.0943 3.0028 3.0028 2.6586 2.6586 1.7884 3.3642 4.0030 1.7884 4.0030 3.3642
H6 2.5743 3.0028 1.0943 3.0028 2.6586 2.6586 4.0030 1.7884 3.3642 3.3642 1.7884 4.0030
H7 2.5743 3.0028 3.0028 1.0943 2.6586 2.6586 3.3642 4.0030 1.7884 4.0030 3.3642 1.7884
H8 2.5388 1.0938 3.9224 3.1905 1.7884 4.0030 3.3642 4.2269 4.2270 1.7701 4.8242 3.0542
H9 2.5388 3.1905 1.0938 3.9224 3.3642 1.7884 4.0030 4.2269 4.2270 3.0542 1.7701 4.8242
H10 2.5388 3.9224 3.1905 1.0938 4.0030 3.3642 1.7884 4.2270 4.2270 4.8242 3.0542 1.7701
H11 2.5388 1.0938 3.1905 3.9224 1.7884 3.3642 4.0030 1.7701 3.0542 4.8242 4.2270 4.2269
H12 2.5388 3.9224 1.0938 3.1905 4.0030 1.7884 3.3642 4.8242 1.7701 3.0542 4.2270 4.2270
H13 2.5388 3.1905 3.9224 1.0938 3.3642 4.0030 1.7884 3.0542 4.8242 1.7701 4.2269 4.2270
Maximum atom distance is 4.8242Å 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 97.042 C2 As1 C4 97.042
C3 As1 C4 97.042
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
As1 C2 H5 111.532 As1 C2 H8 108.975
As1 C2 H11 108.975 As1 C3 H6 111.532
As1 C3 H9 108.975 As1 C3 H12 108.975
As1 C4 H7 111.532 As1 C4 H10 108.975
As1 C4 H13 108.975 H5 C2 H8 109.633
H5 C2 H11 109.633 H6 C3 H9 109.633
H6 C3 H12 109.633 H7 C4 H10 109.633
H7 C4 H13 109.633 H8 C2 H11 108.020
H9 C3 H12 108.020 H10 C4 H13 108.020

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