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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

B2PLYP/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 0.3800   0.0000 -0.0000 -0.3800
C2 0.0000 1.3832 -0.0626   1.3832 0.0000 0.0626
C3 1.1979 -0.6916 -0.0626   -0.6916 -1.1979 0.0626
C4 -1.1979 -0.6916 -0.0626   -0.6916 1.1979 0.0626
H5 0.0000 1.4879 -1.1642   1.4879 0.0000 1.1642
H6 1.2886 -0.7439 -1.1642   -0.7439 -1.2886 1.1642
H7 -1.2886 -0.7439 -1.1642   -0.7439 1.2886 1.1642
H8 -0.8858 1.8926 0.3264   1.8926 0.8858 -0.3264
H9 0.8858 1.8926 0.3264   1.8926 -0.8858 -0.3264
H10 2.0820 -0.1792 0.3264   -0.1792 -2.0820 -0.3264
H11 1.1962 -1.7134 0.3264   -1.7134 -1.1962 -0.3264
H12 -1.1962 -1.7134 0.3264   -1.7134 1.1962 -0.3264
H13 -2.0820 -0.1792 0.3264   -0.1792 2.0820 -0.3264
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.4523 1.4523 1.4523 2.1444 2.1444 2.1444 2.0904 2.0904 2.0904 2.0904 2.0904 2.0904
C2 1.4523 2.3958 2.3958 1.1066 2.7201 2.7201 1.0934 1.0934 2.6319 3.3424 3.3424 2.6319
C3 1.4523 2.3958 2.3958 2.7201 1.1066 2.7201 3.3424 2.6319 1.0934 1.0934 2.6319 3.3424
C4 1.4523 2.3958 2.3958 2.7201 2.7201 1.1066 2.6319 3.3424 3.3424 2.6319 1.0934 1.0934
H5 2.1444 1.1066 2.7201 2.7201 2.5771 2.5771 1.7806 1.7806 3.0555 3.7285 3.7285 3.0555
H6 2.1444 2.7201 1.1066 2.7201 2.5771 2.5771 3.7285 3.0555 1.7806 1.7806 3.0555 3.7285
H7 2.1444 2.7201 2.7201 1.1066 2.5771 2.5771 3.0555 3.7285 3.7285 3.0555 1.7806 1.7806
H8 2.0904 1.0934 3.3424 2.6319 1.7806 3.7285 3.0555 1.7716 3.6194 4.1640 3.6194 2.3924
H9 2.0904 1.0934 2.6319 3.3424 1.7806 3.0555 3.7285 1.7716 2.3924 3.6194 4.1640 3.6194
H10 2.0904 2.6319 1.0934 3.3424 3.0555 1.7806 3.7285 3.6194 2.3924 1.7716 3.6194 4.1640
H11 2.0904 3.3424 1.0934 2.6319 3.7285 1.7806 3.0555 4.1640 3.6194 1.7716 2.3924 3.6194
H12 2.0904 3.3424 2.6319 1.0934 3.7285 3.0555 1.7806 3.6194 4.1640 3.6194 2.3924 1.7716
H13 2.0904 2.6319 3.3424 1.0934 3.0555 3.7285 1.7806 2.3924 3.6194 4.1640 3.6194 1.7716
Maximum atom distance is 4.1640Å 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 111.144 C2 N1 C4 111.144
C3 N1 C4 111.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.171 N1 C2 H8 109.595
N1 C2 H9 109.595 N1 C3 H6 113.171
N1 C3 H10 109.595 N1 C3 H11 109.595
N1 C4 H7 113.171 N1 C4 H12 109.595
N1 C4 H13 109.595 H5 C2 H8 108.064
H5 C2 H9 108.064 H6 C3 H10 108.064
H6 C3 H11 108.064 H7 C4 H12 108.064
H7 C4 H13 108.064 H8 C2 H9 108.221
H10 C3 H11 108.221 H12 C4 H13 108.221

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