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Geometry for (ethyl cyanide) 1A' Cs

1910171554
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 INChIKey=FVSKHRXBFJPNKK-UHFFFAOYSA-N

HF/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5277 0.5726 0.0000   1.5584 -0.4828 0.0000
C2 0.0000 0.8281 0.0000   0.5071 0.6547 0.0000
C3 -0.7775 -0.4445 0.0000   -0.8868 0.1247 0.0000
N4 -1.3760 -1.4406 0.0000   -1.9700 -0.2963 0.0000
H5 2.0555 1.5248 0.0000   2.5588 -0.0532 0.0000
H6 1.8289 0.0111 0.8821   1.4527 -1.1112 0.8821
H7 1.8289 0.0111 -0.8821   1.4527 -1.1112 -0.8821
H8 -0.2914 1.3998 0.8774   0.6267 1.2851 0.8774
H9 -0.2914 1.3998 -0.8774   0.6267 1.2851 -0.8774
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5489 2.5196 3.5333 1.0887 1.0881 1.0881 2.1825 2.1825
C2 1.5489 1.4913 2.6534 2.1704 2.1887 2.1887 1.0870 1.0870
C3 2.5196 1.4913 1.1621 3.4502 2.7890 2.7890 2.0994 2.0994
N4 3.5333 2.6534 1.1621 4.5353 3.6272 3.6272 3.1644 3.1644
H5 1.0887 2.1704 3.4502 4.5353 1.7665 1.7665 2.5087 2.5087
H6 1.0881 2.1887 2.7890 3.6272 1.7665 1.7641 2.5346 3.0854
H7 1.0881 2.1887 2.7890 3.6272 1.7665 1.7641 3.0854 2.5346
H8 2.1825 1.0870 2.0994 3.1644 2.5087 2.5346 3.0854 1.7548
H9 2.1825 1.0870 2.0994 3.1644 2.5087 3.0854 2.5346 1.7548
Maximum atom distance is 4.5353Å between atoms N4 and H5.
picture of ethyl cyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 111.927 C2 C3 N4 179.578
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.561 C1 C2 H9 110.561
C2 C1 H5 109.508 C2 C1 H6 110.984
C2 C1 H7 110.984 C3 C2 H8 108.000
C3 C2 H9 108.000 H5 C1 H6 108.491
H5 C1 H7 108.491 H6 C1 H7 108.310
H8 C2 H9 107.640

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