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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

MP2/CEP-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 0.4214   0.0000 0.0000 -0.4214
C2 0.0000 1.3868 -0.0695   1.3868 -0.0000 0.0695
C3 1.2010 -0.6934 -0.0695   -0.6934 -1.2010 0.0695
C4 -1.2010 -0.6934 -0.0695   -0.6934 1.2010 0.0695
H5 0.0000 1.4479 -1.1842   1.4479 -0.0000 1.1842
H6 1.2539 -0.7239 -1.1842   -0.7239 -1.2539 1.1842
H7 -1.2539 -0.7239 -1.1842   -0.7239 1.2539 1.1842
H8 -0.8961 1.9086 0.3090   1.9086 0.8961 -0.3090
H9 0.8961 1.9086 0.3090   1.9086 -0.8961 -0.3090
H10 2.1010 -0.1782 0.3090   -0.1782 -2.1010 -0.3090
H11 1.2048 -1.7304 0.3090   -1.7304 -1.2048 -0.3090
H12 -1.2048 -1.7304 0.3090   -1.7304 1.2048 -0.3090
H13 -2.1010 -0.1782 0.3090   -0.1782 2.1010 -0.3090
X14 0.0000 0.0000 1.4214   0.0000 0.0000 -1.4214
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4712 1.4712 1.4712 2.1620 2.1620 2.1620 2.1115 2.1115 2.1115 2.1115 2.1115 2.1115 1.0000
C2 1.4712 2.4021 2.4021 1.1163 2.6963 2.6963 1.1039 1.1039 2.6470 3.3633 3.3633 2.6470 2.0362
C3 1.4712 2.4021 2.4021 2.6963 1.1163 2.6963 3.3633 2.6470 1.1039 1.1039 2.6470 3.3633 2.0362
C4 1.4712 2.4021 2.4021 2.6963 2.6963 1.1163 2.6470 3.3633 3.3633 2.6470 1.1039 1.1039 2.0362
H5 2.1620 1.1163 2.6963 2.6963 2.5078 2.5078 1.8014 1.8014 3.0476 3.7125 3.7125 3.0476 2.9808
H6 2.1620 2.6963 1.1163 2.6963 2.5078 2.5078 3.7125 3.0476 1.8014 1.8014 3.0476 3.7125 2.9808
H7 2.1620 2.6963 2.6963 1.1163 2.5078 2.5078 3.0476 3.7125 3.7125 3.0476 1.8014 1.8014 2.9808
H8 2.1115 1.1039 3.3633 2.6470 1.8014 3.7125 3.0476 1.7923 3.6520 4.2019 3.6520 2.4097 2.3839
H9 2.1115 1.1039 2.6470 3.3633 1.8014 3.0476 3.7125 1.7923 2.4097 3.6520 4.2019 3.6520 2.3839
H10 2.1115 2.6470 1.1039 3.3633 3.0476 1.8014 3.7125 3.6520 2.4097 1.7923 3.6520 4.2019 2.3839
H11 2.1115 3.3633 1.1039 2.6470 3.7125 1.8014 3.0476 4.2019 3.6520 1.7923 2.4097 3.6520 2.3839
H12 2.1115 3.3633 2.6470 1.1039 3.7125 3.0476 1.8014 3.6520 4.2019 3.6520 2.4097 1.7923 2.3839
H13 2.1115 2.6470 3.3633 1.1039 3.0476 3.7125 1.8014 2.4097 3.6520 4.2019 3.6520 1.7923 2.3839
X14 1.0000 2.0362 2.0362 2.0362 2.9808 2.9808 2.9808 2.3839 2.3839 2.3839 2.3839 2.3839 2.3839
Maximum atom distance is 4.2019Å 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 109.451 C2 N1 C4 109.451
C2 N1 X14 109.492 C3 N1 C4 109.451
C3 N1 X14 109.492 C4 N1 X14 109.492
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 112.626 N1 C2 H8 109.339
N1 C2 H9 109.339 N1 C3 H6 112.626
N1 C3 H10 109.339 N1 C3 H11 109.339
N1 C4 H7 112.626 N1 C4 H12 109.339
N1 C4 H13 109.339 H5 C2 H8 108.453
H5 C2 H9 108.453 H6 C3 H10 108.453
H6 C3 H11 108.453 H7 C4 H12 108.453
H7 C4 H13 108.453 H8 C2 H9 108.545
H10 C3 H11 108.545 H12 C4 H13 108.545

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