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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

HF/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 0.3589   -0.0000 -0.0000 -0.3589
C2 0.0000 1.3834 -0.0592   -0.0000 -1.3834 0.0592
C3 1.1981 -0.6917 -0.0592   1.1981 0.6917 0.0592
C4 -1.1981 -0.6917 -0.0592   -1.1981 0.6917 0.0592
H5 0.0000 1.5023 -1.1482   -0.0000 -1.5023 1.1482
H6 1.3011 -0.7512 -1.1482   1.3011 0.7512 1.1482
H7 -1.3011 -0.7512 -1.1482   -1.3011 0.7512 1.1482
H8 -0.8768 1.8871 0.3330   -0.8768 -1.8871 -0.3330
H9 0.8768 1.8871 0.3330   0.8768 -1.8871 -0.3330
H10 2.0727 -0.1842 0.3330   2.0727 0.1842 -0.3330
H11 1.1959 -1.7029 0.3330   1.1959 1.7029 -0.3330
H12 -1.1959 -1.7029 0.3330   -1.1959 1.7029 -0.3330
H13 -2.0727 -0.1842 0.3330   -2.0727 0.1842 -0.3330
X14 0.0000 0.0000 1.3589   -0.0000 -0.0000 -1.3589
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4452 1.4452 1.4452 2.1280 2.1280 2.1280 2.0810 2.0810 2.0810 2.0810 2.0810 2.0810 1.0000
C2 1.4452 2.3962 2.3962 1.0955 2.7268 2.7268 1.0846 1.0846 2.6282 3.3331 3.3331 2.6282 1.9811
C3 1.4452 2.3962 2.3962 2.7268 1.0955 2.7268 3.3331 2.6282 1.0846 1.0846 2.6282 3.3331 1.9811
C4 1.4452 2.3962 2.3962 2.7268 2.7268 1.0955 2.6282 3.3331 3.3331 2.6282 1.0846 1.0846 1.9811
H5 2.1280 1.0955 2.7268 2.7268 2.6021 2.6021 1.7638 1.7638 3.0553 3.7280 3.7280 3.0553 2.9228
H6 2.1280 2.7268 1.0955 2.7268 2.6021 2.6021 3.7280 3.0553 1.7638 1.7638 3.0553 3.7280 2.9228
H7 2.1280 2.7268 2.7268 1.0955 2.6021 2.6021 3.0553 3.7280 3.7280 3.0553 1.7638 1.7638 2.9228
H8 2.0810 1.0846 3.3331 2.6282 1.7638 3.7280 3.0553 1.7536 3.6042 4.1454 3.6042 2.3918 2.3200
H9 2.0810 1.0846 2.6282 3.3331 1.7638 3.0553 3.7280 1.7536 2.3918 3.6042 4.1454 3.6042 2.3200
H10 2.0810 2.6282 1.0846 3.3331 3.0553 1.7638 3.7280 3.6042 2.3918 1.7536 3.6042 4.1454 2.3200
H11 2.0810 3.3331 1.0846 2.6282 3.7280 1.7638 3.0553 4.1454 3.6042 1.7536 2.3918 3.6042 2.3200
H12 2.0810 3.3331 2.6282 1.0846 3.7280 3.0553 1.7638 3.6042 4.1454 3.6042 2.3918 1.7536 2.3200
H13 2.0810 2.6282 3.3331 1.0846 3.0553 3.7280 1.7638 2.3918 3.6042 4.1454 3.6042 1.7536 2.3200
X14 1.0000 1.9811 1.9811 1.9811 2.9228 2.9228 2.9228 2.3200 2.3200 2.3200 2.3200 2.3200 2.3200
Maximum atom distance is 4.1454Å between atoms H8 and H11.
picture of Trimethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 C3 111.992 C2 N1 C4 111.992
C2 N1 X14 106.814 C3 N1 C4 111.993
C3 N1 X14 106.814 C4 N1 X14 106.814
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.046 N1 C2 H8 109.875
N1 C2 H9 109.875 N1 C3 H6 113.046
N1 C3 H10 109.875 N1 C3 H11 109.875
N1 C4 H7 113.046 N1 C4 H12 109.875
N1 C4 H13 109.875 H5 C2 H8 108.002
H5 C2 H9 108.002 H6 C3 H10 108.002
H6 C3 H11 108.002 H7 C4 H12 108.002
H7 C4 H13 108.002 H8 C2 H9 107.885
H10 C3 H11 107.885 H12 C4 H13 107.885

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