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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

mPW1PW91/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3710   -0.0000 0.0000 -0.3710
C2 0.0000 1.3800 -0.0605   0.0000 -1.3800 0.0605
C3 1.1952 -0.6900 -0.0605   1.1952 0.6900 0.0605
C4 -1.1952 -0.6900 -0.0605   -1.1952 0.6900 0.0605
H5 0.0000 1.4899 -1.1614   0.0000 -1.4899 1.1614
H6 1.2903 -0.7450 -1.1614   1.2903 0.7450 1.1614
H7 -1.2903 -0.7450 -1.1614   -1.2903 0.7450 1.1614
H8 -0.8832 1.8909 0.3294   -0.8832 -1.8908 -0.3294
H9 0.8832 1.8909 0.3294   0.8832 -1.8908 -0.3294
H10 2.0791 -0.1805 0.3294   2.0791 0.1805 -0.3294
H11 1.1959 -1.7103 0.3294   1.1959 1.7103 -0.3294
H12 -1.1959 -1.7103 0.3294   -1.1959 1.7103 -0.3294
H13 -2.0791 -0.1805 0.3294   -2.0791 0.1805 -0.3294
X14 0.0000 0.0000 1.3710   -0.0000 0.0000 -1.3710
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4459 1.4459 1.4459 2.1373 2.1373 2.1373 2.0874 2.0874 2.0874 2.0874 2.0874 2.0874 1.0000
C2 1.4459 2.3903 2.3903 1.1064 2.7189 2.7189 1.0923 1.0923 2.6287 3.3365 3.3365 2.6287 1.9884
C3 1.4459 2.3903 2.3903 2.7189 1.1064 2.7189 3.3365 2.6287 1.0923 1.0923 2.6287 3.3366 1.9884
C4 1.4459 2.3903 2.3903 2.7189 2.7189 1.1064 2.6287 3.3365 3.3366 2.6287 1.0923 1.0923 1.9884
H5 2.1373 1.1064 2.7189 2.7189 2.5806 2.5806 1.7786 1.7786 3.0554 3.7275 3.7275 3.0554 2.9382
H6 2.1373 2.7189 1.1064 2.7189 2.5806 2.5806 3.7275 3.0554 1.7786 1.7786 3.0554 3.7275 2.9382
H7 2.1373 2.7189 2.7189 1.1064 2.5806 2.5806 3.0554 3.7275 3.7275 3.0554 1.7786 1.7786 2.9382
H8 2.0874 1.0923 3.3365 2.6287 1.7786 3.7275 3.0554 1.7664 3.6147 4.1583 3.6147 2.3918 2.3325
H9 2.0874 1.0923 2.6287 3.3365 1.7786 3.0554 3.7275 1.7664 2.3918 3.6147 4.1583 3.6147 2.3325
H10 2.0874 2.6287 1.0923 3.3366 3.0554 1.7786 3.7275 3.6147 2.3918 1.7664 3.6147 4.1583 2.3325
H11 2.0874 3.3365 1.0923 2.6287 3.7275 1.7786 3.0554 4.1583 3.6147 1.7664 2.3918 3.6147 2.3325
H12 2.0874 3.3365 2.6287 1.0923 3.7275 3.0554 1.7786 3.6147 4.1583 3.6147 2.3918 1.7664 2.3325
H13 2.0874 2.6287 3.3366 1.0923 3.0554 3.7275 1.7786 2.3918 3.6147 4.1583 3.6147 1.7664 2.3325
X14 1.0000 1.9884 1.9884 1.9884 2.9382 2.9382 2.9382 2.3325 2.3325 2.3325 2.3325 2.3325 2.3325
Maximum atom distance is 4.1583Å 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 111.495 C2 N1 C4 111.495
C2 N1 X14 107.363 C3 N1 C4 111.495
C3 N1 X14 107.363 C4 N1 X14 107.363
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.062 N1 C2 H8 109.866
N1 C2 H9 109.866 N1 C3 H6 113.062
N1 C3 H10 109.866 N1 C3 H11 109.866
N1 C4 H7 113.062 N1 C4 H12 109.866
N1 C4 H13 109.866 H5 C2 H8 107.984
H5 C2 H9 107.984 H6 C3 H10 107.984
H6 C3 H11 107.984 H7 C4 H12 107.984
H7 C4 H13 107.984 H8 C2 H9 107.924
H10 C3 H11 107.924 H12 C4 H13 107.924

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