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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

B3LYP/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.3689   0.0000 0.0000 0.3689
C2 0.0000 1.4109 -0.0624   1.4109 -0.0000 -0.0624
C3 1.2219 -0.7055 -0.0624   -0.7055 1.2219 -0.0624
C4 -1.2219 -0.7055 -0.0624   -0.7055 -1.2219 -0.0624
H5 0.0000 1.5314 -1.1638   1.5314 -0.0000 -1.1638
H6 1.3262 -0.7657 -1.1638   -0.7657 1.3262 -1.1638
H7 -1.3262 -0.7657 -1.1638   -0.7657 -1.3262 -1.1638
H8 -0.8888 1.9093 0.3387   1.9093 -0.8888 0.3387
H9 0.8888 1.9093 0.3387   1.9093 0.8888 0.3387
H10 2.0979 -0.1849 0.3387   -0.1849 2.0979 0.3387
H11 1.2091 -1.7243 0.3387   -1.7243 1.2091 0.3387
H12 -1.2091 -1.7243 0.3387   -1.7243 -1.2091 0.3387
H13 -2.0979 -0.1849 0.3387   -0.1849 -2.0979 0.3387
X14 0.0000 0.0000 1.3689   0.0000 0.0000 1.3689
Atom - Atom Distances (Å)
  N1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13 X14
N1 1.4754 1.4754 1.4754 2.1666 2.1666 2.1666 2.1062 2.1062 2.1062 2.1062 2.1062 2.1062 1.0000
C2 1.4754 2.4438 2.4438 1.1080 2.7766 2.7766 1.0950 1.0950 2.6662 3.3842 3.3842 2.6662 2.0098
C3 1.4754 2.4438 2.4438 2.7766 1.1080 2.7766 3.3842 2.6662 1.0950 1.0950 2.6662 3.3842 2.0098
C4 1.4754 2.4438 2.4438 2.7766 2.7766 1.1080 2.6662 3.3842 3.3842 2.6662 1.0950 1.0950 2.0098
H5 2.1666 1.1080 2.7766 2.7766 2.6524 2.6524 1.7861 1.7861 3.0991 3.7840 3.7840 3.0991 2.9597
H6 2.1666 2.7766 1.1080 2.7766 2.6524 2.6524 3.7840 3.0991 1.7861 1.7861 3.0991 3.7840 2.9597
H7 2.1666 2.7766 2.7766 1.1080 2.6524 2.6524 3.0991 3.7840 3.7840 3.0991 1.7861 1.7861 2.9597
H8 2.1062 1.0950 3.3842 2.6662 1.7861 3.7840 3.0991 1.7775 3.6477 4.1957 3.6477 2.4182 2.3445
H9 2.1062 1.0950 2.6662 3.3842 1.7861 3.0991 3.7840 1.7775 2.4182 3.6477 4.1957 3.6477 2.3445
H10 2.1062 2.6662 1.0950 3.3842 3.0991 1.7861 3.7840 3.6477 2.4182 1.7775 3.6477 4.1957 2.3445
H11 2.1062 3.3842 1.0950 2.6662 3.7840 1.7861 3.0991 4.1957 3.6477 1.7775 2.4182 3.6477 2.3445
H12 2.1062 3.3842 2.6662 1.0950 3.7840 3.0991 1.7861 3.6477 4.1957 3.6477 2.4182 1.7775 2.3445
H13 2.1062 2.6662 3.3842 1.0950 3.0991 3.7840 1.7861 2.4182 3.6477 4.1957 3.6477 1.7775 2.3445
X14 1.0000 2.0098 2.0098 2.0098 2.9597 2.9597 2.9597 2.3445 2.3445 2.3445 2.3445 2.3445 2.3445
Maximum atom distance is 4.1957Å 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 111.830 C2 N1 C4 111.830
C2 N1 X14 106.995 C3 N1 C4 111.830
C3 N1 X14 106.995 C4 N1 X14 106.995
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 113.235 N1 C2 H8 109.158
N1 C2 H9 109.158 N1 C3 H6 113.235
N1 C3 H10 109.158 N1 C3 H11 109.158
N1 C4 H7 113.235 N1 C4 H12 109.158
N1 C4 H13 109.158 H5 C2 H8 108.338
H5 C2 H9 108.338 H6 C3 H10 108.338
H6 C3 H11 108.338 H7 C4 H12 108.338
H7 C4 H13 108.338 H8 C2 H9 108.512
H10 C3 H11 108.512 H12 C4 H13 108.512

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