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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

PBEPBE/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 0.3774   0.0000 -0.0000 0.3774
C2 0.0000 1.3872 -0.0612   -0.0000 1.3872 -0.0612
C3 1.2014 -0.6936 -0.0612   1.2014 -0.6936 -0.0612
C4 -1.2014 -0.6936 -0.0612   -1.2014 -0.6936 -0.0612
H5 0.0000 1.5003 -1.1731   -0.0000 1.5003 -1.1731
H6 1.2993 -0.7501 -1.1731   1.2993 -0.7501 -1.1731
H7 -1.2993 -0.7501 -1.1731   -1.2993 -0.7501 -1.1731
H8 -0.8931 1.9027 0.3298   -0.8931 1.9027 0.3298
H9 0.8931 1.9027 0.3298   0.8931 1.9027 0.3298
H10 2.0943 -0.1779 0.3298   2.0943 -0.1779 0.3298
H11 1.2012 -1.7248 0.3298   1.2012 -1.7248 0.3298
H12 -1.2012 -1.7248 0.3298   -1.2012 -1.7248 0.3298
H13 -2.0943 -0.1779 0.3298   -2.0943 -0.1779 0.3298
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.4549 1.4549 1.4549 2.1575 2.1575 2.1575 2.1024 2.1024 2.1024 2.1024 2.1024 2.1024
C2 1.4549 2.4027 2.4027 1.1176 2.7373 2.7373 1.1028 1.1028 2.6436 3.3586 3.3586 2.6436
C3 1.4549 2.4027 2.4027 2.7373 1.1176 2.7373 3.3586 2.6436 1.1028 1.1028 2.6436 3.3586
C4 1.4549 2.4027 2.4027 2.7373 2.7373 1.1176 2.6436 3.3586 3.3586 2.6436 1.1028 1.1028
H5 2.1575 1.1176 2.7373 2.7373 2.5985 2.5985 1.7939 1.7939 3.0759 3.7553 3.7553 3.0759
H6 2.1575 2.7373 1.1176 2.7373 2.5985 2.5985 3.7553 3.0759 1.7939 1.7939 3.0759 3.7553
H7 2.1575 2.7373 2.7373 1.1176 2.5985 2.5985 3.0759 3.7553 3.7553 3.0759 1.7939 1.7939
H8 2.1024 1.1028 3.3586 2.6436 1.7939 3.7553 3.0759 1.7862 3.6405 4.1886 3.6405 2.4025
H9 2.1024 1.1028 2.6436 3.3586 1.7939 3.0759 3.7553 1.7862 2.4025 3.6405 4.1886 3.6405
H10 2.1024 2.6436 1.1028 3.3586 3.0759 1.7939 3.7553 3.6405 2.4025 1.7862 3.6405 4.1886
H11 2.1024 3.3586 1.1028 2.6436 3.7553 1.7939 3.0759 4.1886 3.6405 1.7862 2.4025 3.6405
H12 2.1024 3.3586 2.6436 1.1028 3.7553 3.0759 1.7939 3.6405 4.1886 3.6405 2.4025 1.7862
H13 2.1024 2.6436 3.3586 1.1028 3.0759 3.7553 1.7939 2.4025 3.6405 4.1886 3.6405 1.7862
Maximum atom distance is 4.1886Å 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 111.327 C2 N1 C4 111.327
C3 N1 C4 111.327
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.351 N1 C2 H8 109.805
N1 C2 H9 109.805 N1 C3 H6 113.351
N1 C3 H10 109.805 N1 C3 H11 109.805
N1 C4 H7 113.351 N1 C4 H12 109.805
N1 C4 H13 109.805 H5 C2 H8 107.782
H5 C2 H9 107.782 H6 C3 H10 107.782
H6 C3 H11 107.782 H7 C4 H12 107.782
H7 C4 H13 107.782 H8 C2 H9 108.161
H10 C3 H11 108.161 H12 C4 H13 108.161

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