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Geometry for C3H5OH (Cyclopropanol) 1A C1

1910171554
InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2 INChIKey=YOXHCYXIAVIFCZ-UHFFFAOYSA-N

CCSD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2336 -0.0222 0.4849   0.2341 -0.0251 0.4845
C2 0.9112 -0.7392 -0.1428   -0.9349 -0.7109 -0.1336
C3 0.8778 0.7766 -0.1333   -0.8527 0.8032 -0.1386
O4 -1.4613 -0.1138 -0.1928   1.4563 -0.1626 -0.1953
H5 -0.3126 -0.0331 1.5670   0.3157 -0.0283 1.5665
H6 1.6199 -1.2434 0.4996   -1.6576 -1.1859 0.5154
H7 0.7060 -1.2245 -1.0871   -0.7480 -1.2113 -1.0736
H8 1.5591 1.3040 0.5210   -1.5150 1.3583 0.5124
H9 0.6605 1.2642 -1.0745   -0.6225 1.2746 -1.0849
H10 -1.8747 0.7522 -0.1359   1.8975 0.6903 -0.1477
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.4896 1.5018 1.4053 1.0851 2.2197 2.1908 2.2303 2.2104 1.9179
C2 1.4896 1.5163 2.4540 2.2181 1.0813 1.0812 2.2440 2.2237 3.1600
C3 1.5018 1.5163 2.5035 2.2280 2.2432 2.2234 1.0819 1.0820 2.7526
O4 1.4053 2.4540 2.5035 2.1031 3.3540 2.5943 3.4121 2.6793 0.9614
H5 1.0851 2.2181 2.2280 2.1031 2.5177 3.0824 2.5269 3.0996 2.4407
H6 2.2197 1.0813 2.2432 3.3540 2.5177 1.8311 2.5482 3.1123 4.0742
H7 2.1908 1.0812 2.2234 2.5943 3.0824 1.8311 3.1156 2.4891 3.3871
H8 2.2303 2.2440 1.0819 3.4121 2.5269 2.5482 3.1156 1.8316 3.5394
H9 2.2104 2.2237 1.0820 2.6793 3.0996 3.1123 2.4891 1.8316 2.7514
H10 1.9179 3.1600 2.7526 0.9614 2.4407 4.0742 3.3871 3.5394 2.7514
Maximum atom distance is 4.0742Å between atoms H6 and H10.
picture of Cyclopropanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 59.944 C1 C3 C2 59.145
C2 C1 C3 60.911 C2 C1 O4 115.900
C3 C1 O4 118.861
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.541 C1 C2 H7 115.991
C1 C3 H8 118.448 C1 C3 H9 116.688
C1 O4 H10 106.762 C2 C1 H5 118.124
C2 C3 H8 118.505 C2 C3 H9 116.712
C3 C1 H5 118.018 C3 C2 H6 118.481
C3 C2 H7 116.739 O4 C1 H5 114.625
H6 C2 H7 115.720 H8 C3 H9 115.650

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