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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

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3620 0.0000   0.0000 -0.0213 0.3614
N2 -1.3884 -0.0884 0.0000   0.0000 -1.3808 -0.1701
H3 0.0692 1.4531 0.0000   0.0000 -0.0166 1.4547
C4 0.6868 -0.1522 1.2599   1.2599 0.6946 -0.1115
C5 0.6868 -0.1522 -1.2599   -1.2599 0.6946 -0.1115
H6 -1.8719 0.2584 -0.8029   -0.8029 -1.8839 0.1476
H7 -1.8719 0.2584 0.8029   0.8029 -1.8839 0.1476
H8 0.6536 -1.2358 1.2936   1.2936 0.7253 -1.1952
H9 0.6536 -1.2358 -1.2936   -1.2936 0.7253 -1.1952
H10 1.7244 0.1638 1.2969   1.2969 1.7118 0.2652
H11 1.7244 0.1638 -1.2969   -1.2969 1.7118 0.2652
H12 0.1980 0.2237 2.1547   2.1547 0.1845 0.2350
H13 0.1980 0.2237 -2.1547   -2.1547 0.1845 0.2350
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4597 1.0933 1.5243 1.5243 2.0395 2.0395 2.1573 2.1573 2.1667 2.1667 2.1682 2.1682
N2 1.4597 2.1216 2.4286 2.4286 0.9994 0.9994 2.6758 2.6758 3.3816 3.3816 2.6939 2.6939
H3 1.0933 2.1216 2.1321 2.1321 2.4166 2.4166 3.0406 3.0406 2.4666 2.4666 2.4841 2.4841
C4 1.5243 2.4286 2.1321 2.5198 3.3122 2.6314 1.0846 2.7741 1.0853 2.7773 1.0867 3.4698
C5 1.5243 2.4286 2.1321 2.5198 2.6314 3.3122 2.7741 1.0846 2.7773 1.0853 3.4698 1.0867
H6 2.0395 0.9994 2.4166 3.3122 2.6314 1.6059 3.6064 2.9752 4.1655 3.6313 3.6102 2.4725
H7 2.0395 0.9994 2.4166 2.6314 3.3122 1.6059 2.9752 3.6064 3.6313 4.1655 2.4725 3.6102
H8 2.1573 2.6758 3.0406 1.0846 2.7741 3.6064 2.9752 2.5872 1.7624 3.1331 1.7548 3.7721
H9 2.1573 2.6758 3.0406 2.7741 1.0846 2.9752 3.6064 2.5872 3.1331 1.7624 3.7721 1.7548
H10 2.1667 3.3816 2.4666 1.0853 2.7773 4.1655 3.6313 1.7624 3.1331 2.5937 1.7520 3.7745
H11 2.1667 3.3816 2.4666 2.7773 1.0853 3.6313 4.1655 3.1331 1.7624 2.5937 3.7745 1.7520
H12 2.1682 2.6939 2.4841 1.0867 3.4698 3.6102 2.4725 1.7548 3.7721 1.7520 3.7745 4.3094
H13 2.1682 2.6939 2.4841 3.4698 1.0867 2.4725 3.6102 3.7721 1.7548 3.7745 1.7520 4.3094
Maximum atom distance is 4.3094Å 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 108.934 N2 C1 C5 108.934
C4 C1 C5 111.489
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.674 C1 N2 H7 110.674
C1 C4 H8 110.423 C1 C4 H10 111.142
C1 C4 H12 111.175 C1 C5 H9 110.423
C1 C5 H11 111.142 C1 C5 H13 111.175
N2 C1 H3 111.603 H3 C1 C4 107.949
H3 C1 C5 107.949 H6 N2 H7 106.919
H8 C4 H10 108.614 H8 C4 H12 107.831
H9 C5 H11 108.614 H9 C5 H13 107.831
H10 C4 H12 107.530 H11 C5 H13 107.530

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