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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/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3767   0.0000 0.0000 -0.3767
C2 0.0000 1.3869 -0.0609   1.3869 -0.0000 0.0609
C3 1.2011 -0.6935 -0.0609   -0.6935 1.2011 0.0609
C4 -1.2011 -0.6935 -0.0609   -0.6935 -1.2011 0.0609
H5 0.0000 1.4945 -1.1704   1.4945 -0.0000 1.1704
H6 1.2943 -0.7472 -1.1704   -0.7472 1.2943 1.1704
H7 -1.2943 -0.7472 -1.1704   -0.7472 -1.2943 1.1704
H8 -0.8903 1.9009 0.3283   1.9009 -0.8903 -0.3283
H9 0.8903 1.9009 0.3283   1.9009 0.8903 -0.3283
H10 2.0914 -0.1795 0.3283   -0.1795 2.0914 -0.3283
H11 1.2011 -1.7215 0.3283   -1.7215 1.2011 -0.3283
H12 -1.2011 -1.7215 0.3283   -1.7215 -1.2011 -0.3283
H13 -2.0914 -0.1795 0.3283   -0.1795 -2.0914 -0.3283
X14 0.0000 0.0000 1.3767   0.0000 0.0000 -1.3767
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4543 1.4543 1.4543 2.1511 2.1511 2.1511 2.0996 2.0996 2.0996 2.0996 2.0996 2.0996 1.0000
C2 1.4543 2.4022 2.4022 1.1148 2.7314 2.7314 1.0992 1.0992 2.6418 3.3550 3.3550 2.6418 1.9975
C3 1.4543 2.4022 2.4022 2.7314 1.1148 2.7314 3.3550 2.6418 1.0992 1.0992 2.6418 3.3550 1.9975
C4 1.4543 2.4022 2.4022 2.7314 2.7314 1.1148 2.6418 3.3550 3.3550 2.6418 1.0992 1.0992 1.9975
H5 2.1511 1.1148 2.7314 2.7314 2.5885 2.5885 1.7900 1.7900 3.0696 3.7458 3.7458 3.0696 2.9532
H6 2.1511 2.7314 1.1148 2.7314 2.5885 2.5885 3.7458 3.0696 1.7900 1.7900 3.0696 3.7458 2.9532
H7 2.1511 2.7314 2.7314 1.1148 2.5885 2.5885 3.0696 3.7458 3.7458 3.0696 1.7900 1.7900 2.9532
H8 2.0996 1.0992 3.3550 2.6418 1.7900 3.7458 3.0696 1.7805 3.6357 4.1828 3.6357 2.4023 2.3463
H9 2.0996 1.0992 2.6418 3.3550 1.7900 3.0696 3.7458 1.7805 2.4023 3.6357 4.1828 3.6357 2.3463
H10 2.0996 2.6418 1.0992 3.3550 3.0696 1.7900 3.7458 3.6357 2.4023 1.7805 3.6357 4.1828 2.3463
H11 2.0996 3.3550 1.0992 2.6418 3.7458 1.7900 3.0696 4.1828 3.6357 1.7805 2.4023 3.6357 2.3463
H12 2.0996 3.3550 2.6418 1.0992 3.7458 3.0696 1.7900 3.6357 4.1828 3.6357 2.4023 1.7805 2.3463
H13 2.0996 2.6418 3.3550 1.0992 3.0696 3.7458 1.7900 2.4023 3.6357 4.1828 3.6357 1.7805 2.3463
X14 1.0000 1.9975 1.9975 1.9975 2.9532 2.9532 2.9532 2.3463 2.3463 2.3463 2.3463 2.3463 2.3463
Maximum atom distance is 4.1828Å 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 111.359 C2 N1 C4 111.359
C2 N1 X14 107.510 C3 N1 C4 111.359
C3 N1 X14 107.510 C4 N1 X14 107.510
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.048 N1 C2 H8 109.843
N1 C2 H9 109.843 N1 C3 H6 113.048
N1 C3 H10 109.843 N1 C3 H11 109.843
N1 C4 H7 113.048 N1 C4 H12 109.843
N1 C4 H13 109.843 H5 C2 H8 107.897
H5 C2 H9 107.897 H6 C3 H10 107.897
H6 C3 H11 107.897 H7 C4 H12 107.897
H7 C4 H13 107.897 H8 C2 H9 108.172
H10 C3 H11 108.172 H12 C4 H13 108.172

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