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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

B3LYPultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.5930 -0.0518 -0.1314   2.5931 0.0121 -0.1378
H2 -1.7630 -1.5698 -0.0547   1.8020 -1.5253 -0.0400
N3 -1.7234 -0.5664 -0.1531   1.7368 -0.5246 -0.1508
O4 -0.5434 1.3579 0.0799   0.5091 1.3720 0.0616
C5 -0.5624 0.1366 0.0407   0.5589 0.1513 0.0375
H6 0.7332 -1.0396 1.2583   -0.7036 -1.0420 1.2731
H7 0.5967 -1.6418 -0.3873   -0.5559 -1.6611 -0.3652
C8 0.6922 -0.7229 0.2058   -0.6731 -0.7375 0.2166
H9 2.8544 -0.5658 0.0565   -2.8391 -0.6370 0.0713
H10 1.9785 0.2939 -1.2253   -1.9883 0.2286 -1.2235
H11 2.0255 0.9713 0.4032   -2.0484 0.9248 0.3967
C12 1.9667 0.0372 -0.1610   -1.9674 -0.0145 -0.1560
Atom - Atom Distances (Å)
  H1 H2 N3 O4 C5 H6 H7 C8 H9 H10 H11 C12
H1 1.7318 1.0107 2.4965 2.0465 3.7376 3.5731 3.3699 5.4748 4.7132 4.7606 4.5606
H2 1.7318 1.0090 3.1744 2.0886 2.8698 2.3841 2.6101 4.7266 4.3408 4.5847 4.0625
N3 1.0107 1.0090 2.2693 1.3711 2.8724 2.5679 2.4471 4.5826 3.9489 4.0900 3.7391
O4 2.4965 3.1744 2.2693 1.2220 2.9607 3.2428 2.4232 3.9046 3.0324 2.6179 2.8465
C5 2.0465 2.0886 1.3711 1.2220 2.1317 2.1655 1.5297 3.4883 2.8432 2.7432 2.5391
H6 3.7376 2.8698 2.8724 2.9607 2.1317 1.7576 1.0999 2.4837 3.0818 2.5387 2.1668
H7 3.5731 2.3841 2.5679 3.2428 2.1655 1.7576 1.0978 2.5401 2.5217 3.0814 2.1788
C8 3.3699 2.6101 2.4471 2.4232 1.5297 1.0999 1.0978 2.1731 2.1764 2.1650 1.5286
H9 5.4748 4.7266 4.5826 3.9046 3.4883 2.4837 2.5401 2.1731 1.7747 1.7805 1.0950
H10 4.7132 4.3408 3.9489 3.0324 2.8432 3.0818 2.5217 2.1764 1.7747 1.7644 1.0950
H11 4.7606 4.5847 4.0900 2.6179 2.7432 2.5387 3.0814 2.1650 1.7805 1.7644 1.0928
C12 4.5606 4.0625 3.7391 2.8465 2.5391 2.1668 2.1788 1.5286 1.0950 1.0950 1.0928
Maximum atom distance is 5.4748Å 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 122.016 N3 C5 C8 114.937
O4 C5 C8 123.047 C5 C8 C12 112.242
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 118.067 H1 N3 C5 117.673
H2 N3 C5 121.962 C5 C8 H6 107.195
C5 C8 H7 109.919 H6 C8 H7 106.212
H6 C8 C12 109.978 H7 C8 C12 111.046
C8 C12 H9 110.762 C8 C12 H10 111.027
C8 C12 H11 110.246 H9 C12 H10 108.263
H9 C12 H11 108.940 H10 C12 H11 107.508

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