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Geometry for (2-Propanamine) 1A' CS

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

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3683 0.0000   -0.3679 -0.0171 0.0000
N2 -1.3841 -0.1155 0.0000   0.1154 0.0054 -1.3841
H3 0.0552 1.4659 0.0000   -1.4643 -0.0680 0.0552
C4 0.6877 -0.1405 1.2561   0.1986 -1.2482 0.6877
C5 0.6877 -0.1405 -1.2561   0.0820 1.2612 0.6877
H6 -1.8831 0.2200 -0.8170   -0.2577 0.8059 -1.8831
H7 -1.8831 0.2200 0.8170   -0.1819 -0.8263 -1.8831
H8 0.6679 -1.2295 1.2701   1.2871 -1.2117 0.6679
H9 0.6679 -1.2295 -1.2701   1.1692 1.3258 0.6679
H10 1.7230 0.1962 1.2931   -0.1360 -1.3008 1.7230
H11 1.7230 0.1962 -1.2931   -0.2560 1.2826 1.7230
H12 0.1830 0.2226 2.1518   -0.1225 -2.1598 0.1830
H13 0.1830 0.2226 -2.1518   -0.3222 2.1392 0.1830
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4662 1.0990 1.5197 1.5197 2.0580 2.0580 2.1476 2.1476 2.1612 2.1612 2.1645 2.1645
N2 1.4662 2.1383 2.4229 2.4229 1.0144 1.0144 2.6579 2.6579 3.3799 3.3799 2.6834 2.6834
H3 1.0990 2.1383 2.1350 2.1350 2.4447 2.4447 3.0420 3.0420 2.4630 2.4630 2.4885 2.4885
C4 1.5197 2.4229 2.1350 2.5122 3.3221 2.6327 1.0893 2.7510 1.0894 2.7720 1.0904 3.4642
C5 1.5197 2.4229 2.1350 2.5122 2.6327 3.3221 2.7510 1.0893 2.7720 1.0894 3.4642 1.0904
H6 2.0580 1.0144 2.4447 3.3221 2.6327 1.6340 3.6006 2.9688 4.1782 3.6375 3.6170 2.4598
H7 2.0580 1.0144 2.4447 2.6327 3.3221 1.6340 2.9688 3.6006 3.6375 4.1782 2.4598 3.6170
H8 2.1476 2.6579 3.0420 1.0893 2.7510 3.6006 2.9688 2.5402 1.7738 3.1170 1.7667 3.7488
H9 2.1476 2.6579 3.0420 2.7510 1.0893 2.9688 3.6006 2.5402 3.1170 1.7738 3.7488 1.7667
H10 2.1612 3.3799 2.4630 1.0894 2.7720 4.1782 3.6375 1.7738 3.1170 2.5862 1.7635 3.7736
H11 2.1612 3.3799 2.4630 2.7720 1.0894 3.6375 4.1782 3.1170 1.7738 2.5862 3.7736 1.7635
H12 2.1645 2.6834 2.4885 1.0904 3.4642 3.6170 2.4598 1.7667 3.7488 1.7635 3.7736 4.3037
H13 2.1645 2.6834 2.4885 3.4642 1.0904 2.4598 3.6170 3.7488 1.7667 3.7736 1.7635 4.3037
Maximum atom distance is 4.3037Å 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 108.463 N2 C1 C5 108.463
C4 C1 C5 111.490
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.806 C1 N2 H7 110.806
C1 C4 H8 109.701 C1 C4 H10 110.776
C1 C4 H12 110.984 C1 C5 H9 109.701
C1 C5 H11 110.776 C1 C5 H13 110.984
N2 C1 H3 112.143 H3 C1 C4 108.159
H3 C1 C5 108.159 H6 N2 H7 107.295
H8 C4 H10 109.014 H8 C4 H12 108.297
H9 C5 H11 109.014 H9 C5 H13 108.297
H10 C4 H12 108.001 H11 C5 H13 108.001

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