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Geometry for CH3NH2 (methyl amine) 1A' CS

1910171554
InChI=1S/CH5N/c1-2/h2H2,1H3 INChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N

HF/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0478 0.7016 0.0000   0.7032 0.0000 0.0087
N2 0.0478 -0.7506 0.0000   -0.7468 0.0000 0.0894
H3 -0.9433 1.1515 0.0000   1.0973 0.0000 -1.0058
H4 0.5785 1.0600 0.8727   1.0906 0.8727 0.5187
H5 0.5785 1.0600 -0.8727   1.0906 -0.8727 0.5187
H6 -0.4174 -1.1136 -0.8043   -1.1351 -0.8043 -0.3549
H7 -0.4174 -1.1136 0.8043   -1.1351 0.8043 -0.3549
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4522 1.0884 1.0824 1.0824 2.0392 2.0392
N2 1.4522 2.1448 2.0788 2.0788 0.9975 0.9975
H3 1.0884 2.1448 1.7566 1.7566 2.4605 2.4605
H4 1.0824 2.0788 1.7566 1.7453 2.9204 2.3919
H5 1.0824 2.0788 1.7566 1.7453 2.3919 2.9204
H6 2.0392 0.9975 2.4605 2.9204 2.3919 1.6086
H7 2.0392 0.9975 2.4605 2.3919 2.9204 1.6086
Maximum atom distance is 2.9204Å between atoms H4 and H6.
picture of methyl amine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 111.340 C1 N2 H7 111.340
N2 C1 H3 114.416 N2 C1 H4 109.337
N2 C1 H5 109.337 H3 C1 H4 108.035
H3 C1 H5 108.035 H4 C1 H5 107.451
H6 N2 H7 107.468

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