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Geometry for (ethyl cyanide) 1A' Cs

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

TPSSh/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5420 0.5898 0.0000   -1.5823 0.4711 0.0000
C2 0.0000 0.8374 0.0000   -0.5099 -0.6643 0.0000
C3 -0.7795 -0.4464 0.0000   0.8901 -0.1205 0.0000
N4 -1.3919 -1.4768 0.0000   2.0034 0.3239 0.0000
H5 2.0661 1.5591 0.0000   -2.5882 0.0213 0.0000
H6 1.8416 0.0233 0.8957   -1.4750 1.1029 0.8957
H7 1.8416 0.0233 -0.8957   -1.4750 1.1029 -0.8957
H8 -0.2906 1.4236 0.8945   -0.6363 -1.3062 0.8945
H9 -0.2906 1.4236 -0.8945   -0.6363 -1.3062 -0.8945
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9
C1 1.5618 2.5423 3.5887 1.1019 1.1013 1.1013 2.2031 2.2031
C2 1.5618 1.5020 2.7006 2.1885 2.2037 2.2037 1.1082 1.1082
C3 2.5423 1.5020 1.1987 3.4813 2.8094 2.8094 2.1298 2.1298
N4 3.5887 2.7006 1.1987 4.6016 3.6753 3.6753 3.2289 3.2289
H5 1.1019 2.1885 3.4813 4.6016 1.7920 1.7920 2.5243 2.5243
H6 1.1013 2.2037 2.8094 3.6753 1.7920 1.7913 2.5509 3.1164
H7 1.1013 2.2037 2.8094 3.6753 1.7920 1.7913 3.1164 2.5509
H8 2.2031 1.1082 2.1298 3.2289 2.5243 2.5509 3.1164 1.7890
H9 2.2031 1.1082 2.1298 3.2289 2.5243 3.1164 2.5509 1.7890
Maximum atom distance is 4.6016Å 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 112.140 C2 C3 N4 179.463
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.044 C1 C2 H9 110.044
C2 C1 H5 109.277 C2 C1 H6 110.495
C2 C1 H7 110.495 C3 C2 H8 108.424
C3 C2 H9 108.424 H5 C1 H6 108.851
H5 C1 H7 108.851 H6 C1 H7 108.834
H8 C2 H9 107.636

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