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Geometry for CH3CH(NH2)CH3 (2-Propanamine) 1A' CS

1910171554
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 INChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N

B3LYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3623 0.0000   0.2012 0.3013 0.0000
N2 -1.3934 -0.1047 0.0000   -0.0582 -0.0871 -1.3934
H3 0.0670 1.4613 0.0000   0.8116 1.2152 0.0670
C4 0.6902 -0.1457 1.2625   0.9690 -0.8224 0.6902
C5 0.6902 -0.1457 -1.2625   -1.1308 0.5800 0.6902
H6 -1.8854 0.2483 -0.8128   -0.5380 0.6579 -1.8854
H7 -1.8854 0.2483 0.8128   0.8138 -0.2450 -1.8854
H8 0.6658 -1.2361 1.2936   0.3892 -1.7464 0.6658
H9 0.6658 -1.2361 -1.2936   -1.7623 -0.3094 0.6658
H10 1.7298 0.1826 1.2987   1.1814 -0.5694 1.7298
H11 1.7298 0.1826 -1.2987   -0.9786 0.8732 1.7298
H12 0.1922 0.2283 2.1599   1.9229 -1.0097 0.1922
H13 0.1922 0.2283 -2.1599   -1.6693 1.3895 0.1922
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4696 1.1010 1.5259 1.5259 2.0563 2.0563 2.1614 2.1614 2.1706 2.1706 2.1725 2.1725
N2 1.4696 2.1413 2.4366 2.4366 1.0136 1.0136 2.6821 2.6821 3.3947 3.3947 2.7000 2.7000
H3 1.1010 2.1413 2.1365 2.1365 2.4380 2.4380 3.0509 3.0509 2.4671 2.4671 2.4901 2.4901
C4 1.5259 2.4366 2.1365 2.5250 3.3310 2.6440 1.0911 2.7791 1.0909 2.7836 1.0923 3.4786
C5 1.5259 2.4366 2.1365 2.5250 2.6440 3.3310 2.7791 1.0911 2.7836 1.0909 3.4786 1.0923
H6 2.0563 1.0136 2.4380 3.3310 2.6440 1.6256 3.6261 2.9905 4.1872 3.6483 3.6268 2.4761
H7 2.0563 1.0136 2.4380 2.6440 3.3310 1.6256 2.9905 3.6261 3.6483 4.1872 2.4761 3.6268
H8 2.1614 2.6821 3.0509 1.0911 2.7791 3.6261 2.9905 2.5873 1.7734 3.1409 1.7661 3.7809
H9 2.1614 2.6821 3.0509 2.7791 1.0911 2.9905 3.6261 2.5873 3.1409 1.7734 3.7809 1.7661
H10 2.1706 3.3947 2.4671 1.0909 2.7836 4.1872 3.6483 1.7734 3.1409 2.5974 1.7630 3.7853
H11 2.1706 3.3947 2.4671 2.7836 1.0909 3.6483 4.1872 3.1409 1.7734 2.5974 3.7853 1.7630
H12 2.1725 2.7000 2.4901 1.0923 3.4786 3.6268 2.4761 1.7661 3.7809 1.7630 3.7853 4.3197
H13 2.1725 2.7000 2.4901 3.4786 1.0923 2.4761 3.6268 3.7809 1.7661 3.7853 1.7630 4.3197
Maximum atom distance is 4.3197Å between atoms H12 and H13.
picture of 2-Propanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 C4 108.848 N2 C1 C5 108.848
C4 C1 C5 111.665
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.461 C1 N2 H7 110.461
C1 C4 H8 110.255 C1 C4 H10 110.997
C1 C4 H12 111.072 C1 C5 H9 110.255
C1 C5 H11 110.997 C1 C5 H13 111.072
N2 C1 H3 112.018 H3 C1 C4 107.744
H3 C1 C5 107.744 H6 N2 H7 106.632
H8 C4 H10 108.731 H8 C4 H12 107.973
H9 C5 H11 108.731 H9 C5 H13 107.973
H10 C4 H12 107.709 H11 C5 H13 107.709

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