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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

M06-2X/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2949 0.2246 0.0000   0.1246 0.1869 0.2949
N2 -0.9190 1.0449 0.0000   0.5795 0.8695 -0.9190
H3 1.2176 0.8322 0.0000   0.4615 0.6925 1.2176
C4 0.2949 -0.6390 1.2559   0.6906 -1.2283 0.2949
C5 0.2949 -0.6390 -1.2559   -1.3995 0.1648 0.2949
H6 -0.9178 1.6566 -0.8142   0.2413 1.8301 -0.9178
H7 -0.9178 1.6566 0.8142   1.5963 0.9269 -0.9178
H8 -0.6018 -1.2664 1.2704   0.3548 -1.7584 -0.6018
H9 -0.6018 -1.2664 -1.2704   -1.7595 -0.3492 -0.6018
H10 1.1795 -1.2823 1.2881   0.3607 -1.7814 1.1795
H11 1.1795 -1.2823 -1.2881   -1.7830 -0.3526 1.1795
H12 0.2932 -0.0208 2.1604   1.7862 -1.2155 0.2932
H13 0.2932 -0.0208 -2.1604   -1.8092 1.1809 0.2932
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4651 1.1047 1.5242 1.5242 2.0455 2.0455 2.1544 2.1544 2.1708 2.1708 2.1743 2.1743
N2 1.4651 2.1471 2.4262 2.4262 1.0184 1.0184 2.6564 2.6564 3.3880 3.3880 2.6968 2.6968
H3 1.1047 2.1471 2.1431 2.1431 2.4295 2.4295 3.0542 3.0542 2.4762 2.4762 2.4999 2.4999
C4 1.5242 2.4262 2.1431 2.5118 3.3206 2.6336 1.0945 2.7532 1.0942 2.7692 1.0956 3.4718
C5 1.5242 2.4262 2.1431 2.5118 2.6336 3.3206 2.7532 1.0945 2.7692 1.0942 3.4718 1.0956
H6 2.0455 1.0184 2.4295 3.3206 2.6336 1.6284 3.6041 2.9752 4.1780 3.6415 3.6234 2.4683
H7 2.0455 1.0184 2.4295 2.6336 3.3206 1.6284 2.9752 3.6041 3.6415 4.1780 2.4683 3.6234
H8 2.1544 2.6564 3.0542 1.0945 2.7532 3.6041 2.9752 2.5409 1.7814 3.1176 1.7733 3.7581
H9 2.1544 2.6564 3.0542 2.7532 1.0945 2.9752 3.6041 2.5409 3.1176 1.7814 3.7581 1.7733
H10 2.1708 3.3880 2.4762 1.0942 2.7692 4.1780 3.6415 1.7814 3.1176 2.5762 1.7714 3.7775
H11 2.1708 3.3880 2.4762 2.7692 1.0942 3.6415 4.1780 3.1176 1.7814 2.5762 3.7775 1.7714
H12 2.1743 2.6968 2.4999 1.0956 3.4718 3.6234 2.4683 1.7733 3.7581 1.7714 3.7775 4.3208
H13 2.1743 2.6968 2.4999 3.4718 1.0956 2.4683 3.6234 3.7581 1.7733 3.7775 1.7714 4.3208
Maximum atom distance is 4.3208Å 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 108.496 N2 C1 C5 108.496
C4 C1 C5 110.967
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.591 C1 N2 H7 109.591
C1 C4 H8 109.619 C1 C4 H10 110.940
C1 C4 H12 111.131 C1 C5 H9 109.619
C1 C5 H11 110.940 C1 C5 H13 111.131
N2 C1 H3 112.588 H3 C1 C4 108.158
H3 C1 C5 108.158 H6 N2 H7 106.163
H8 C4 H10 108.965 H8 C4 H12 108.131
H9 C5 H11 108.965 H9 C5 H13 108.131
H10 C4 H12 107.979 H11 C5 H13 107.979

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