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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

B3PW91/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3719   -0.0000 0.0000 -0.3719
C2 0.0000 1.3833 -0.0609   1.3833 -0.0000 0.0609
C3 1.1979 -0.6916 -0.0609   -0.6916 -1.1979 0.0609
C4 -1.1979 -0.6916 -0.0609   -0.6916 1.1979 0.0609
H5 0.0000 1.4997 -1.1633   1.4997 -0.0000 1.1633
H6 1.2988 -0.7498 -1.1633   -0.7498 -1.2988 1.1633
H7 -1.2988 -0.7498 -1.1633   -0.7498 1.2988 1.1633
H8 -0.8854 1.8950 0.3306   1.8950 0.8854 -0.3306
H9 0.8854 1.8950 0.3306   1.8950 -0.8854 -0.3306
H10 2.0838 -0.1808 0.3306   -0.1808 -2.0838 -0.3306
H11 1.1985 -1.7143 0.3306   -1.7143 -1.1985 -0.3306
H12 -1.1985 -1.7143 0.3306   -1.7143 1.1985 -0.3306
H13 -2.0838 -0.1808 0.3306   -0.1808 2.0838 -0.3306
X14 0.0000 0.0000 1.3719   -0.0000 0.0000 -1.3719
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4494 1.4494 1.4494 2.1461 2.1461 2.1461 2.0921 2.0921 2.0921 2.0921 2.0921 2.0921 1.0000
C2 1.4494 2.3959 2.3959 1.1085 2.7299 2.7299 1.0950 1.0950 2.6347 3.3443 3.3443 2.6347 1.9916
C3 1.4494 2.3959 2.3959 2.7299 1.1085 2.7299 3.3443 2.6347 1.0950 1.0950 2.6347 3.3443 1.9916
C4 1.4494 2.3959 2.3959 2.7299 2.7299 1.1085 2.6347 3.3443 3.3443 2.6347 1.0950 1.0950 1.9916
H5 2.1461 1.1085 2.7299 2.7299 2.5975 2.5975 1.7810 1.7810 3.0656 3.7413 3.7413 3.0656 2.9455
H6 2.1461 2.7299 1.1085 2.7299 2.5975 2.5975 3.7413 3.0656 1.7810 1.7810 3.0656 3.7413 2.9455
H7 2.1461 2.7299 2.7299 1.1085 2.5975 2.5975 3.0656 3.7413 3.7413 3.0656 1.7810 1.7810 2.9455
H8 2.0921 1.0950 3.3443 2.6347 1.7810 3.7413 3.0656 1.7707 3.6228 4.1677 3.6228 2.3969 2.3365
H9 2.0921 1.0950 2.6347 3.3443 1.7810 3.0656 3.7413 1.7707 2.3969 3.6228 4.1677 3.6228 2.3365
H10 2.0921 2.6347 1.0950 3.3443 3.0656 1.7810 3.7413 3.6228 2.3969 1.7707 3.6228 4.1677 2.3365
H11 2.0921 3.3443 1.0950 2.6347 3.7413 1.7810 3.0656 4.1677 3.6228 1.7707 2.3969 3.6228 2.3365
H12 2.0921 3.3443 2.6347 1.0950 3.7413 3.0656 1.7810 3.6228 4.1677 3.6228 2.3969 1.7707 2.3365
H13 2.0921 2.6347 3.3443 1.0950 3.0656 3.7413 1.7810 2.3969 3.6228 4.1677 3.6228 1.7707 2.3365
X14 1.0000 1.9916 1.9916 1.9916 2.9455 2.9455 2.9455 2.3365 2.3365 2.3365 2.3365 2.3365 2.3365
Maximum atom distance is 4.1677Å 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 111.485 C2 N1 C4 111.485
C2 N1 X14 107.374 C3 N1 C4 111.485
C3 N1 X14 107.374 C4 N1 X14 107.374
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.402 N1 C2 H8 109.832
N1 C2 H9 109.832 N1 C3 H6 113.402
N1 C3 H10 109.832 N1 C3 H11 109.832
N1 C4 H7 113.402 N1 C4 H12 109.832
N1 C4 H13 109.832 H5 C2 H8 107.849
H5 C2 H9 107.849 H6 C3 H10 107.849
H6 C3 H11 107.849 H7 C4 H12 107.849
H7 C4 H13 107.849 H8 C2 H9 107.906
H10 C3 H11 107.906 H12 C4 H13 107.906

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