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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/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3706   0.0000 0.0000 -0.3706
C2 0.0000 1.4004 -0.0607   -0.0000 1.4004 0.0607
C3 1.2128 -0.7002 -0.0607   1.2128 -0.7002 0.0607
C4 -1.2128 -0.7002 -0.0607   -1.2128 -0.7002 0.0607
H5 0.0000 1.5180 -1.1667   -0.0000 1.5180 1.1667
H6 1.3147 -0.7590 -1.1667   1.3147 -0.7590 1.1667
H7 -1.3147 -0.7590 -1.1667   -1.3147 -0.7590 1.1667
H8 -0.8883 1.9094 0.3331   -0.8883 1.9094 -0.3331
H9 0.8883 1.9094 0.3331   0.8883 1.9094 -0.3331
H10 2.0977 -0.1854 0.3331   2.0977 -0.1854 -0.3331
H11 1.2095 -1.7240 0.3331   1.2095 -1.7240 -0.3331
H12 -1.2095 -1.7240 0.3331   -1.2095 -1.7240 -0.3331
H13 -2.0977 -0.1854 0.3331   -2.0977 -0.1854 -0.3331
X14 0.0000 0.0000 1.3706   0.0000 0.0000 -1.3706
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 2.1605 2.1605 2.1605 2.1062 2.1062 2.1062 2.1062 2.1062 2.1062 1.0000
C2 1.4653 2.4256 2.4256 1.1123 2.7595 2.7595 1.0969 1.0969 2.6590 3.3734 3.3734 2.6590 2.0024
C3 1.4653 2.4256 2.4256 2.7595 1.1123 2.7595 3.3734 2.6590 1.0969 1.0969 2.6590 3.3734 2.0024
C4 1.4653 2.4256 2.4256 2.7595 2.7595 1.1123 2.6590 3.3734 3.3734 2.6590 1.0969 1.0969 2.0024
H5 2.1605 1.1123 2.7595 2.7595 2.6293 2.6293 1.7865 1.7865 3.0906 3.7713 3.7713 3.0906 2.9567
H6 2.1605 2.7595 1.1123 2.7595 2.6293 2.6293 3.7713 3.0906 1.7865 1.7865 3.0906 3.7713 2.9567
H7 2.1605 2.7595 2.7595 1.1123 2.6293 2.6293 3.0906 3.7713 3.7713 3.0906 1.7865 1.7865 2.9567
H8 2.1062 1.0969 3.3734 2.6590 1.7865 3.7713 3.0906 1.7765 3.6476 4.1955 3.6476 2.4189 2.3476
H9 2.1062 1.0969 2.6590 3.3734 1.7865 3.0906 3.7713 1.7765 2.4189 3.6476 4.1955 3.6476 2.3476
H10 2.1062 2.6590 1.0969 3.3734 3.0906 1.7865 3.7713 3.6476 2.4189 1.7765 3.6476 4.1955 2.3476
H11 2.1062 3.3734 1.0969 2.6590 3.7713 1.7865 3.0906 4.1955 3.6476 1.7765 2.4189 3.6476 2.3476
H12 2.1062 3.3734 2.6590 1.0969 3.7713 3.0906 1.7865 3.6476 4.1955 3.6476 2.4189 1.7765 2.3476
H13 2.1062 2.6590 3.3734 1.0969 3.0906 3.7713 1.7865 2.4189 3.6476 4.1955 3.6476 1.7765 2.3476
X14 1.0000 2.0024 2.0024 2.0024 2.9567 2.9567 2.9567 2.3476 2.3476 2.3476 2.3476 2.3476 2.3476
Maximum atom distance is 4.1955Å between atoms H10 and H13.
picture of Trimethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 C3 111.720 C2 N1 C4 111.720
C2 N1 X14 107.116 C3 N1 C4 111.720
C3 N1 X14 107.116 C4 N1 X14 107.116
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.186 N1 C2 H8 109.745
N1 C2 H9 109.745 N1 C3 H6 113.186
N1 C3 H10 109.745 N1 C3 H11 109.745
N1 C4 H7 113.186 N1 C4 H12 109.745
N1 C4 H13 109.745 H5 C2 H8 107.933
H5 C2 H9 107.933 H6 C3 H10 107.933
H6 C3 H11 107.933 H7 C4 H12 107.933
H7 C4 H13 107.933 H8 C2 H9 108.155
H10 C3 H11 108.155 H12 C4 H13 108.155

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