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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

MP2=FULL/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2532 0.0017 0.4769   -0.2494 0.0093 0.4788
C2 0.9385 -0.7560 -0.1132   0.9141 -0.7843 -0.1203
C3 0.9194 0.7770 -0.1532   0.9415 0.7486 -0.1600
O4 -1.5111 -0.1202 -0.2214   -1.5157 -0.0739 -0.2100
H5 -0.3163 0.0338 1.5837   -0.3032 0.0430 1.5860
H6 1.6288 -1.2594 0.5762   1.5938 -1.3088 0.5639
H7 0.7731 -1.2817 -1.0629   0.7255 -1.3044 -1.0688
H8 1.5953 1.3308 0.5116   1.6390 1.2812 0.4996
H9 0.7471 1.2480 -1.1299   0.7764 1.2249 -1.1354
H10 -1.9672 0.7537 0.0291   -1.9430 0.8135 0.0439
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.5305 1.5405 1.4439 1.1091 2.2677 2.2520 2.2769 2.2662 1.9246
C2 1.5305 1.5336 2.5331 2.2534 1.0978 1.0980 2.2751 2.2553 3.2776
C3 1.5405 1.5336 2.5917 2.2574 2.2765 2.2555 1.0979 1.0980 2.8925
O4 1.4439 2.5331 2.5917 2.1702 3.4341 2.6972 3.5061 2.7924 1.0171
H5 1.1091 2.2534 2.2574 2.1702 2.5438 3.1499 2.5467 3.1573 2.3793
H6 2.2677 1.0978 2.2765 3.4341 2.5438 1.8492 2.5912 3.1584 4.1574
H7 2.2520 1.0980 2.2555 2.6972 3.1499 1.8492 3.1591 2.5307 3.5839
H8 2.2769 2.2751 1.0979 3.5061 2.5467 2.5912 3.1591 1.8495 3.6411
H9 2.2662 2.2553 1.0980 2.7924 3.1573 3.1584 2.5307 1.8495 2.9925
H10 1.9246 3.2776 2.8925 1.0171 2.3793 4.1574 3.5839 3.6411 2.9925
Maximum atom distance is 4.1574Å 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 60.362 C1 C3 C2 59.720
C2 C1 C3 59.918 C2 C1 O4 116.749
C3 C1 O4 120.523
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.324 C1 C2 H7 116.947
C1 C3 H8 118.348 C1 C3 H9 117.408
C1 O4 H10 101.480 C2 C1 H5 116.319
C2 C3 H8 118.732 C2 C3 H9 116.997
C3 C1 H5 115.907 C3 C2 H6 118.855
C3 C2 H7 117.011 O4 C1 H5 115.818
H6 C2 H7 114.730 H8 C3 H9 114.761

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