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Geometry for N(CH3)3 (Trimethylamine) 1A1 C3V

1910171554
InChI=1S/C3H9N/c1-4(2)3/h1-3H3 INChIKey=GETQZCLCWQTVFV-UHFFFAOYSA-N

BLYP/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3724   -0.0000 0.0000 -0.3724
C2 0.0000 1.3997 -0.0610   1.3997 -0.0000 0.0610
C3 1.2122 -0.6999 -0.0610   -0.6999 -1.2122 0.0610
C4 -1.2122 -0.6999 -0.0610   -0.6999 1.2122 0.0610
H5 0.0000 1.5212 -1.1708   1.5212 -0.0000 1.1708
H6 1.3174 -0.7606 -1.1708   -0.7606 -1.3174 1.1708
H7 -1.3174 -0.7606 -1.1708   -0.7606 1.3174 1.1708
H8 -0.8923 1.9112 0.3338   1.9112 0.8923 -0.3338
H9 0.8923 1.9112 0.3338   1.9112 -0.8923 -0.3338
H10 2.1013 -0.1828 0.3338   -0.1828 -2.1013 -0.3338
H11 1.2090 -1.7284 0.3338   -1.7284 -1.2090 -0.3338
H12 -1.2090 -1.7284 0.3338   -1.7284 1.2090 -0.3338
H13 -2.1013 -0.1828 0.3338   -0.1828 2.1013 -0.3338
X14 0.0000 0.0000 1.3724   -0.0000 0.0000 -1.3724
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4653 1.4653 1.4653 2.1670 2.1670 2.1670 2.1096 2.1096 2.1096 2.1096 2.1096 2.1096 1.0000
C2 1.4653 2.4244 2.4244 1.1165 2.7630 2.7630 1.1017 1.1017 2.6600 3.3767 3.3767 2.6600 2.0035
C3 1.4653 2.4244 2.4244 2.7630 1.1165 2.7630 3.3767 2.6600 1.1017 1.1017 2.6600 3.3767 2.0035
C4 1.4653 2.4244 2.4244 2.7630 2.7630 1.1165 2.6600 3.3767 3.3767 2.6600 1.1017 1.1017 2.0035
H5 2.1670 1.1165 2.7630 2.7630 2.6348 2.6348 1.7923 1.7923 3.0957 3.7796 3.7796 3.0957 2.9635
H6 2.1670 2.7630 1.1165 2.7630 2.6348 2.6348 3.7796 3.0957 1.7923 1.7923 3.0957 3.7796 2.9635
H7 2.1670 2.7630 2.7630 1.1165 2.6348 2.6348 3.0957 3.7796 3.7796 3.0957 1.7923 1.7923 2.9635
H8 2.1096 1.1017 3.3767 2.6600 1.7923 3.7796 3.0957 1.7847 3.6533 4.2026 3.6533 2.4179 2.3511
H9 2.1096 1.1017 2.6600 3.3767 1.7923 3.0957 3.7796 1.7847 2.4179 3.6533 4.2026 3.6533 2.3511
H10 2.1096 2.6600 1.1017 3.3767 3.0957 1.7923 3.7796 3.6533 2.4179 1.7847 3.6533 4.2026 2.3511
H11 2.1096 3.3767 1.1017 2.6600 3.7796 1.7923 3.0957 4.2026 3.6533 1.7847 2.4179 3.6533 2.3511
H12 2.1096 3.3767 2.6600 1.1017 3.7796 3.0957 1.7923 3.6533 4.2026 3.6533 2.4179 1.7847 2.3511
H13 2.1096 2.6600 3.3767 1.1017 3.0957 3.7796 1.7923 2.4179 3.6533 4.2026 3.6533 1.7847 2.3511
X14 1.0000 2.0035 2.0035 2.0035 2.9635 2.9635 2.9635 2.3511 2.3511 2.3511 2.3511 2.3511 2.3511
Maximum atom distance is 4.2026Å between atoms H8 and H11.
picture of Trimethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 C3 111.640 C2 N1 C4 111.640
C2 N1 X14 107.204 C3 N1 C4 111.640
C3 N1 X14 107.204 C4 N1 X14 107.204
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.451 N1 C2 H8 109.724
N1 C2 H9 109.724 N1 C3 H6 113.451
N1 C3 H10 109.724 N1 C3 H11 109.724
N1 C4 H7 113.451 N1 C4 H12 109.724
N1 C4 H13 109.724 H5 C2 H8 107.801
H5 C2 H9 107.801 H6 C3 H10 107.801
H6 C3 H11 107.801 H7 C4 H12 107.801
H7 C4 H13 107.801 H8 C2 H9 108.186
H10 C3 H11 108.186 H12 C4 H13 108.186

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