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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

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3631 0.0000   0.2004 0.3028 0.0000
N2 -1.3909 -0.0943 0.0000   -0.0521 -0.0787 -1.3909
H3 0.0825 1.4665 0.0000   0.8093 1.2230 0.0825
C4 0.6871 -0.1527 1.2605   0.9669 -0.8229 0.6871
C5 0.6871 -0.1527 -1.2605   -1.1354 0.5683 0.6871
H6 -1.8742 0.2791 -0.8112   -0.5225 0.6804 -1.8742
H7 -1.8742 0.2791 0.8112   0.8305 -0.2149 -1.8742
H8 0.6477 -1.2464 1.2926   0.3901 -1.7528 0.6477
H9 0.6477 -1.2464 -1.2926   -1.7658 -0.3261 0.6477
H10 1.7348 0.1625 1.2940   1.1687 -0.5786 1.7348
H11 1.7348 0.1625 -1.2940   -0.9894 0.8495 1.7348
H12 0.1957 0.2286 2.1630   1.9300 -1.0030 0.1957
H13 0.1957 0.2286 -2.1630   -1.6777 1.3843 0.1957
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4642 1.1065 1.5254 1.5254 2.0439 2.0439 2.1635 2.1635 2.1735 2.1735 2.1760 2.1760
N2 1.4642 2.1464 2.4311 2.4311 1.0154 1.0154 2.6747 2.6747 3.3926 3.3926 2.7019 2.7019
H3 1.1065 2.1464 2.1392 2.1392 2.4283 2.4283 3.0578 3.0578 2.4708 2.4708 2.4948 2.4948
C4 1.5254 2.4311 2.1392 2.5210 3.3224 2.6360 1.0949 2.7778 1.0945 2.7788 1.0961 3.4795
C5 1.5254 2.4311 2.1392 2.5210 2.6360 3.3224 2.7778 1.0949 2.7788 1.0945 3.4795 1.0961
H6 2.0439 1.0154 2.4283 3.3224 2.6360 1.6223 3.6212 2.9865 4.1797 3.6429 3.6239 2.4727
H7 2.0439 1.0154 2.4283 2.6360 3.3224 1.6223 2.9865 3.6212 3.6429 4.1797 2.4727 3.6239
H8 2.1635 2.6747 3.0578 1.0949 2.7778 3.6212 2.9865 2.5852 1.7795 3.1396 1.7713 3.7843
H9 2.1635 2.6747 3.0578 2.7778 1.0949 2.9865 3.6212 2.5852 3.1396 1.7795 3.7843 1.7713
H10 2.1735 3.3926 2.4708 1.0945 2.7788 4.1797 3.6429 1.7795 3.1396 2.5879 1.7687 3.7847
H11 2.1735 3.3926 2.4708 2.7788 1.0945 3.6429 4.1797 3.1396 1.7795 2.5879 3.7847 1.7687
H12 2.1760 2.7019 2.4948 1.0961 3.4795 3.6239 2.4727 1.7713 3.7843 1.7687 3.7847 4.3260
H13 2.1760 2.7019 2.4948 3.4795 1.0961 2.4727 3.6239 3.7843 1.7713 3.7847 1.7687 4.3260
Maximum atom distance is 4.3260Å 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 108.801 N2 C1 C5 108.801
C4 C1 C5 111.441
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.708 C1 N2 H7 109.708
C1 C4 H8 110.229 C1 C4 H10 111.044
C1 C4 H12 111.149 C1 C5 H9 110.229
C1 C5 H11 111.044 C1 C5 H13 111.149
N2 C1 H3 112.480 H3 C1 C4 107.673
H3 C1 C5 107.673 H6 N2 H7 106.048
H8 C4 H10 108.733 H8 C4 H12 107.889
H9 C5 H11 108.733 H9 C5 H13 107.889
H10 C4 H12 107.686 H11 C5 H13 107.686

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