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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

MP3=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.9650 0.0322 -0.0058   -1.9639 0.0723 -0.0159
C2 -0.6657 -0.7606 0.0089   -0.6811 -0.7467 0.0115
C3 0.5580 0.1451 -0.0028   0.5608 0.1336 -0.0011
O4 0.4863 1.3595 0.0068   0.5140 1.3493 -0.0014
N5 1.7469 -0.5288 -0.0235   1.7358 -0.5645 -0.0106
H6 -2.8228 -0.6465 0.0031   -2.8355 -0.5886 -0.0060
H7 -2.0269 0.6890 0.8645   -2.0165 0.7371 0.8489
H8 -2.0234 0.6597 -0.8976   -2.0051 0.6938 -0.9128
H9 -0.6093 -1.4313 -0.8576   -0.6344 -1.4253 -0.8494
H10 -0.6133 -1.4019 0.8982   -0.6463 -1.3819 0.9061
H11 1.8030 -1.5327 0.0560   1.7709 -1.5688 0.0770
H12 2.6103 -0.0112 0.0417   2.6093 -0.0642 0.0548
Atom - Atom Distances (Å)
  C1 C2 C3 O4 N5 H6 H7 H8 H9 H10 H11 H12
C1 1.5221 2.5255 2.7876 3.7541 1.0939 1.0921 1.0921 2.1691 2.1681 4.0805 4.5757
C2 1.5221 1.5224 2.4129 2.4239 2.1602 2.1648 2.1639 1.0972 1.0977 2.5870 3.3608
C3 2.5255 1.5224 1.2166 1.3668 3.4723 2.7802 2.7801 2.1397 2.1394 2.0901 2.0587
O4 2.7876 2.4129 1.2166 2.2707 3.8697 2.7389 2.7579 3.1203 3.1031 3.1783 2.5282
N5 3.7541 2.4239 1.3668 2.2707 4.5714 4.0636 4.0487 2.6575 2.6800 1.0087 1.0087
H6 1.0939 2.1602 3.4723 3.8697 4.5714 1.7774 1.7767 2.5012 2.5008 4.7103 5.4703
H7 1.0921 2.1648 2.7802 2.7389 4.0636 1.7774 1.7624 3.0774 2.5241 4.5009 4.7614
H8 1.0921 2.1639 2.7801 2.7579 4.0487 1.7767 1.7624 2.5246 3.0763 4.5119 4.7753
H9 2.1691 1.0972 2.1397 3.1203 2.6575 2.5012 3.0774 2.5246 1.7561 2.5815 3.6320
H10 2.1681 1.0977 2.1394 3.1031 2.6800 2.5008 2.5241 3.0763 1.7561 2.5623 3.6138
H11 4.0805 2.5870 2.0901 3.1783 1.0087 4.7103 4.5009 4.5119 2.5815 2.5623 1.7225
H12 4.5757 3.3608 2.0587 2.5282 1.0087 5.4703 4.7614 4.7753 3.6320 3.6138 1.7225
Maximum atom distance is 5.4703Å 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 26.727 N3 C5 C8 17.911
O4 C5 C8 40.689 C5 C8 C12 9.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 33.947 H1 N3 C5 147.882
H2 N3 C5 113.954 C5 C8 H6 95.380
C5 C8 H7 77.928 H6 C8 H7 60.292
H6 C8 C12 103.510 H7 C8 C12 78.908
C8 C12 H9 31.357 C8 C12 H10 40.102
C8 C12 H11 70.789 H9 C12 H10 28.050
H9 C12 H11 40.642 H10 C12 H11 40.538

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