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Geometry for C3H7NO (Propanamide) 1A' C1

1910171554
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) INChIKey=QLNJFJADRCOGBJ-UHFFFAOYSA-N

B3LYP/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.5771 -0.1061 -0.2630   2.5787 -0.0440 -0.2657
H2 -1.7017 -1.6050 -0.1888   1.7413 -1.5635 -0.1740
N3 -1.7004 -0.5978 -0.1678   1.7147 -0.5566 -0.1639
O4 -0.5836 1.3580 0.0921   0.5493 1.3732 0.0766
C5 -0.5646 0.1330 0.0562   0.5612 0.1477 0.0539
H6 0.7816 -0.8436 1.3707   -0.7584 -0.8481 1.3809
H7 0.6102 -1.6743 -0.1701   -0.5680 -1.6909 -0.1511
C8 0.7067 -0.6815 0.2866   -0.6890 -0.6960 0.2950
H9 2.8597 -0.5347 0.0444   -2.8453 -0.6061 0.0544
H10 1.9384 0.1473 -1.3086   -1.9431 0.0842 -1.3073
H11 2.0344 1.0312 0.2176   -2.0594 0.9819 0.2094
C12 1.9622 0.0329 -0.2201   -1.9627 -0.0189 -0.2176
Atom - Atom Distances (Å)
  H1 H2 N3 O4 C5 H6 H7 C8 H9 H10 H11 C12
H1 1.7374 1.0097 2.4988 2.0516 3.8071 3.5535 3.3789 5.4624 4.6420 4.7739 4.5417
H2 1.7374 1.0074 3.1793 2.0912 3.0295 2.3130 2.6228 4.6911 4.1922 4.5905 4.0134
N3 1.0097 1.0074 2.2672 1.3690 2.9304 2.5491 2.4511 4.5655 3.8856 4.0928 3.7169
O4 2.4988 3.1793 2.2672 1.2257 2.8889 3.2694 2.4212 3.9295 3.1287 2.6413 2.8870
C5 2.0516 2.0912 1.3690 1.2257 2.1199 2.1674 1.5274 3.4889 2.8510 2.7546 2.5439
H6 3.8071 3.0295 2.9304 2.8889 2.1199 1.7588 1.0987 2.4846 3.0821 2.5326 2.1663
H7 3.5535 2.3130 2.5491 3.2694 2.1674 1.7588 1.0970 2.5308 2.5256 3.0819 2.1782
C8 3.3789 2.6228 2.4511 2.4212 1.5274 1.0987 1.0970 2.1715 2.1792 2.1681 1.5308
H9 5.4624 4.6911 4.5655 3.9295 3.4889 2.4846 2.5308 2.1715 1.7733 1.7786 1.0944
H10 4.6420 4.1922 3.8856 3.1287 2.8510 3.0821 2.5256 2.1792 1.7733 1.7663 1.0947
H11 4.7739 4.5905 4.0928 2.6413 2.7546 2.5326 3.0819 2.1681 1.7786 1.7663 1.0924
C12 4.5417 4.0134 3.7169 2.8870 2.5439 2.1663 2.1782 1.5308 1.0944 1.0947 1.0924
Maximum atom distance is 5.4624Å between atoms H1 and H9.
picture of Propanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C5 O4 121.700 N3 C5 C8 115.506
O4 C5 C8 122.781 C5 C8 C12 112.573
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 118.936 H1 N3 C5 118.414
H2 N3 C5 122.557 C5 C8 H6 106.511
C5 C8 H7 110.277 H6 C8 H7 106.454
H6 C8 C12 109.854 H7 C8 C12 110.897
C8 C12 H9 110.521 C8 C12 H10 111.106
C8 C12 H11 110.367 H9 C12 H10 108.199
H9 C12 H11 108.841 H10 C12 H11 107.718

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