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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**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3812   0.0000 0.0000 -0.3812
C2 0.0000 1.3883 -0.0622   1.3883 -0.0000 0.0622
C3 1.2023 -0.6942 -0.0622   -0.6942 1.2023 0.0622
C4 -1.2023 -0.6942 -0.0622   -0.6942 -1.2023 0.0622
H5 0.0000 1.5009 -1.1743   1.5009 -0.0000 1.1743
H6 1.2998 -0.7505 -1.1743   -0.7505 1.2998 1.1743
H7 -1.2998 -0.7505 -1.1743   -0.7505 -1.2998 1.1743
H8 -0.8924 1.9047 0.3291   1.9047 -0.8924 -0.3291
H9 0.8924 1.9047 0.3291   1.9047 0.8924 -0.3291
H10 2.0958 -0.1795 0.3291   -0.1795 2.0958 -0.3291
H11 1.2033 -1.7252 0.3291   -1.7252 1.2033 -0.3291
H12 -1.2033 -1.7252 0.3291   -1.7252 -1.2033 -0.3291
H13 -2.0958 -0.1795 0.3291   -0.1795 -2.0958 -0.3291
X14 0.0000 0.0000 1.3812   0.0000 0.0000 -1.3812
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4574 1.4574 1.4574 2.1616 2.1616 2.1616 2.1041 2.1041 2.1041 2.1041 2.1041 2.1041 1.0000
C2 1.4574 2.4046 2.4046 1.1178 2.7387 2.7387 1.1028 1.1028 2.6464 3.3608 3.3608 2.6464 2.0027
C3 1.4574 2.4046 2.4046 2.7387 1.1178 2.7387 3.3608 2.6464 1.1028 1.1028 2.6464 3.3608 2.0027
C4 1.4574 2.4046 2.4046 2.7387 2.7387 1.1178 2.6464 3.3608 3.3608 2.6464 1.1028 1.1028 2.0027
H5 2.1616 1.1178 2.7387 2.7387 2.5997 2.5997 1.7944 1.7944 3.0784 3.7572 3.7572 3.0784 2.9637
H6 2.1616 2.7387 1.1178 2.7387 2.5997 2.5997 3.7572 3.0784 1.7944 1.7944 3.0784 3.7572 2.9637
H7 2.1616 2.7387 2.7387 1.1178 2.5997 2.5997 3.0784 3.7572 3.7572 3.0784 1.7944 1.7944 2.9637
H8 2.1041 1.1028 3.3608 2.6464 1.7944 3.7572 3.0784 1.7848 3.6433 4.1915 3.6433 2.4067 2.3519
H9 2.1041 1.1028 2.6464 3.3608 1.7944 3.0784 3.7572 1.7848 2.4067 3.6433 4.1915 3.6433 2.3519
H10 2.1041 2.6464 1.1028 3.3608 3.0784 1.7944 3.7572 3.6433 2.4067 1.7848 3.6433 4.1915 2.3519
H11 2.1041 3.3608 1.1028 2.6464 3.7572 1.7944 3.0784 4.1915 3.6433 1.7848 2.4067 3.6433 2.3519
H12 2.1041 3.3608 2.6464 1.1028 3.7572 3.0784 1.7944 3.6433 4.1915 3.6433 2.4067 1.7848 2.3519
H13 2.1041 2.6464 3.3608 1.1028 3.0784 3.7572 1.7944 2.4067 3.6433 4.1915 3.6433 1.7848 2.3519
X14 1.0000 2.0027 2.0027 2.0027 2.9637 2.9637 2.9637 2.3519 2.3519 2.3519 2.3519 2.3519 2.3519
Maximum atom distance is 4.1915Å 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 111.169 C2 N1 C4 111.169
C2 N1 X14 107.715 C3 N1 C4 111.169
C3 N1 X14 107.715 C4 N1 X14 107.715
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.498 N1 C2 H8 109.761
N1 C2 H9 109.761 N1 C3 H6 113.498
N1 C3 H10 109.761 N1 C3 H11 109.761
N1 C4 H7 113.498 N1 C4 H12 109.761
N1 C4 H13 109.761 H5 C2 H8 107.809
H5 C2 H9 107.809 H6 C3 H10 107.809
H6 C3 H11 107.809 H7 C4 H12 107.809
H7 C4 H13 107.809 H8 C2 H9 108.036
H10 C3 H11 108.036 H12 C4 H13 108.036

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