return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH3NHCH3 (Dimethylamine) 1A' CS

1910171554
InChI=1S/C2H7N/c1-3-2/h3H,1-2H3 INChIKey=ROSDSFDQCJNGOL-UHFFFAOYSA-N

MP2/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0264 0.5831 0.0000   0.0711 0.5787 0.0264
H2 -0.7718 1.2080 0.0000   0.1473 1.1990 -0.7718
C3 0.0264 -0.2236 1.2107   1.1744 -0.3696 0.0264
C4 0.0264 -0.2236 -1.2107   -1.2289 -0.0743 0.0264
H5 -0.8064 -0.9404 1.2678   1.1436 -1.0880 -0.8064
H6 -0.8064 -0.9404 -1.2678   -1.3730 -0.7788 -0.8064
H7 0.9573 -0.7899 1.2588   1.1530 -0.9375 0.9573
H8 0.9573 -0.7899 -1.2588   -1.3457 -0.6305 0.9573
H9 -0.0161 0.4274 2.0828   2.1194 0.1702 -0.0161
H10 -0.0161 0.4274 -2.0828   -2.0151 0.6782 -0.0161
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.0137 1.4548 1.4548 2.1498 2.1498 2.0823 2.0823 2.0890 2.0890
H2 1.0137 2.0377 2.0377 2.4948 2.4948 2.9267 2.9267 2.3491 2.3491
C3 1.4548 2.0377 2.4213 1.1003 2.7111 1.0907 2.6991 1.0892 3.3575
C4 1.4548 2.0377 2.4213 2.7111 1.1003 2.6991 1.0907 3.3575 1.0892
H5 2.1498 2.4948 1.1003 2.7111 2.5355 1.7701 3.0849 1.7776 3.7043
H6 2.1498 2.4948 2.7111 1.1003 2.5355 3.0849 1.7701 3.7043 1.7776
H7 2.0823 2.9267 1.0907 2.6991 1.7701 3.0849 2.5175 1.7631 3.6872
H8 2.0823 2.9267 2.6991 1.0907 3.0849 1.7701 2.5175 3.6872 1.7631
H9 2.0890 2.3491 1.0892 3.3575 1.7776 3.7043 1.7631 3.6872 4.1656
H10 2.0890 2.3491 3.3575 1.0892 3.7043 1.7776 3.6872 1.7631 4.1656
Maximum atom distance is 4.1656Å between atoms H9 and H10.
picture of Dimethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 N1 C4 112.647
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 113.855 N1 C3 H7 108.941
N1 C3 H9 109.567 N1 C4 H6 113.855
N1 C4 H8 108.941 N1 C4 H10 109.567
H2 N1 C3 109.988 H2 N1 C4 109.988
H5 C3 H7 107.787 H5 C3 H9 108.560
H6 C4 H8 107.787 H6 C4 H10 108.560
H7 C3 H9 107.961 H8 C4 H10 107.961

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