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Geometry for C2H5CN (ethyl cyanide) 1A' Cs

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

MP2/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5445 0.6051 0.0000   1.5825 -0.4972 0.0000
C2 0.0000 0.8497 0.0000   0.5328 0.6619 0.0000
C3 -0.7779 -0.4498 0.0000   -0.8881 0.1374 0.0000
N4 -1.3978 -1.5071 0.0000   -2.0339 -0.2974 0.0000
H5 2.0731 1.5737 0.0000   2.6016 -0.0742 0.0000
H6 1.8485 0.0378 0.8959   1.4636 -1.1297 0.8959
H7 1.8485 0.0378 -0.8959   1.4636 -1.1297 -0.8959
H8 -0.2924 1.4353 0.8946   0.6723 1.3014 0.8946
H9 -0.2924 1.4353 -0.8946   0.6723 1.3014 -0.8946
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5638 2.5508 3.6219 1.1034 1.1031 1.1031 2.2054 2.2054
C2 1.5638 1.5146 2.7402 2.1958 2.2088 2.2088 1.1085 1.1085
C3 2.5508 1.5146 1.2256 3.4961 2.8175 2.8175 2.1424 2.1424
N4 3.6219 2.7402 1.2256 4.6409 3.7051 3.7051 3.2681 3.2681
H5 1.1034 2.1958 3.4961 4.6409 1.7922 1.7922 2.5327 2.5327
H6 1.1031 2.2088 2.8175 3.7051 1.7922 1.7918 2.5566 3.1213
H7 1.1031 2.2088 2.8175 3.7051 1.7922 1.7918 3.1213 2.5566
H8 2.2054 1.1085 2.1424 3.2681 2.5327 2.5566 3.1213 1.7893
H9 2.2054 1.1085 2.1424 3.2681 2.5327 3.1213 2.5566 1.7893
Maximum atom distance is 4.6409Å 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 111.904 C2 C3 N4 179.477
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.069 C1 C2 H9 110.069
C2 C1 H5 109.620 C2 C1 H6 110.650
C2 C1 H7 110.650 C3 C2 H8 108.529
C3 C2 H9 108.529 H5 C1 H6 108.628
H5 C1 H7 108.628 H6 C1 H7 108.612
H8 C2 H9 107.622

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