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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

HSEh1PBE/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.9549 0.0364 -0.1417   1.9554 -0.0118 -0.1383
C2 -0.6836 -0.7318 0.1799   0.6652 -0.7479 0.1828
C3 0.5581 0.1359 0.0353   -0.5547 0.1496 0.0340
O4 0.5246 1.3531 0.0718   -0.4914 1.3657 0.0677
N5 1.7224 -0.5532 -0.1320   -1.7352 -0.5111 -0.1338
H6 -2.8411 -0.5728 0.0608   2.8261 -0.6421 0.0672
H7 -2.0062 0.9482 0.4581   2.0281 0.8998 0.4595
H8 -1.9766 0.3358 -1.1940   1.9863 0.2844 -1.1912
H9 -0.5896 -1.6252 -0.4509   0.5504 -1.6402 -0.4460
H10 -0.7106 -1.0921 1.2182   0.6815 -1.1063 1.2220
H11 1.7666 -1.5566 -0.0636   -1.8041 -1.5130 -0.0631
H12 2.5859 -0.0324 -0.1190   -2.5858 0.0307 -0.1236
Atom - Atom Distances (Å)
  C1 C2 C3 O4 N5 H6 H7 H8 H9 H10 H11 H12
C1 1.5197 2.5212 2.8155 3.7243 1.0943 1.0926 1.0942 2.1727 2.1612 4.0488 4.5414
C2 1.5197 1.5217 2.4121 2.4328 2.1666 2.1561 2.1677 1.0977 1.0994 2.5968 3.3569
C3 2.5212 1.5217 1.2182 1.3632 3.4724 2.7230 2.8241 2.1575 2.1252 2.0820 2.0406
O4 2.8155 2.4121 1.2182 2.2606 3.8778 2.5920 2.9821 3.2225 2.9696 3.1666 2.4910
N5 3.7243 2.4328 1.3632 2.2606 4.5676 4.0627 3.9498 2.5683 2.8342 1.0067 1.0085
H6 1.0943 2.1666 3.4724 3.8778 4.5676 1.7800 1.7741 2.5374 2.4796 4.7132 5.4568
H7 1.0926 2.1561 2.7230 2.5920 4.0627 1.7800 1.7622 3.0749 2.5336 4.5585 4.7310
H8 1.0942 2.1677 2.8241 2.9821 3.9498 1.7741 1.7622 2.5142 3.0757 4.3440 4.7019
H9 2.1727 1.0977 2.1575 3.2225 2.5683 2.5374 3.0749 2.5142 1.7563 2.3888 3.5680
H10 2.1612 1.0994 2.1252 2.9696 2.8342 2.4796 2.5336 3.0757 1.7563 2.8275 3.7119
H11 4.0488 2.5968 2.0820 3.1666 1.0067 4.7132 4.5585 4.3440 2.3888 2.8275 1.7314
H12 4.5414 3.3569 2.0406 2.4910 1.0085 5.4568 4.7310 4.7019 3.5680 3.7119 1.7314
Maximum atom distance is 5.4568Å between atoms H6 and H12.
picture of Propanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C5 O4 27.145 N3 C5 C8 28.283
O4 C5 C8 48.563 C5 C8 C12 8.941
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 33.984 H1 N3 C5 145.361
H2 N3 C5 114.861 C5 C8 H6 98.681
C5 C8 H7 80.904 H6 C8 H7 60.443
H6 C8 C12 105.727 H7 C8 C12 80.166
C8 C12 H9 31.797 C8 C12 H10 40.794
C8 C12 H11 67.482 H9 C12 H10 27.830
H9 C12 H11 35.788 H10 C12 H11 46.910

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