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	hartrees
Energy at 0K	-192.670731
Energy at 298.15K	-192.677749
HF Energy	-191.933346
Nuclear repulsion energy	124.518872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3889	3684	27.05
2	A	3292	3119	8.96
3	A	3277	3105	1.97
4	A	3197	3029	4.04
5	A	3186	3019	10.22
6	A	3169	3002	28.47
7	A	1539	1458	15.00
8	A	1475	1398	1.23
9	A	1449	1372	5.59
10	A	1338	1268	91.44
11	A	1263	1197	40.04
12	A	1216	1152	1.58
13	A	1214	1150	2.97
14	A	1155	1095	0.63
15	A	1095	1038	1.32
16	A	1079	1022	17.73
17	A	1015	962	7.89
18	A	960	910	21.65
19	A	852	808	9.16
20	A	834	791	5.23
21	A	769	729	2.46
22	A	409	388	23.99
23	A	405	384	3.66
24	A	328	311	99.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.015	0.483
C2	0.909	-0.742	-0.137
C3	0.881	0.775	-0.136
O4	-1.455	-0.113	-0.198
H5	-0.315	-0.021	1.567
H6	1.612	-1.249	0.511
H7	0.704	-1.235	-1.078
H8	1.564	1.307	0.514
H9	0.666	1.258	-1.081
H10	-1.899	0.732	-0.108

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4935	1.5044	1.3967	1.0870	2.2249	2.1933	2.2363	2.2109	1.9138
C2	1.4935		1.5166	2.4475	2.2186	1.0821	1.0821	2.2471	2.2249	3.1718
C3	1.5044	1.5166		2.4999	2.2287	2.2467	2.2261	1.0827	1.0827	2.7807
O4	1.3967	2.4475	2.4999		2.1029	3.3470	2.5871	3.4111	2.6759	0.9587
H5	1.0870	2.2186	2.2287	2.1029		2.5175	3.0831	2.5307	3.1005	2.4251
H6	2.2249	1.0821	2.2467	3.3470	2.5175		1.8304	2.5564	3.1167	4.0789
H7	2.1933	1.0821	2.2261	2.5871	3.0831	1.8304		3.1201	2.4932	3.4034
H8	2.2363	2.2471	1.0827	3.4111	2.5307	2.5564	3.1201		1.8306	3.5648
H9	2.2109	2.2249	1.0827	2.6759	3.1005	3.1167	2.4932	1.8306		2.7939
H10	1.9138	3.1718	2.7807	0.9587	2.4251	4.0789	3.4034	3.5648	2.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.966	C1	C2	H6	118.627
C1	C2	H7	115.847	C1	C3	C2	59.256
C1	C3	H8	118.723	C1	C3	H9	116.483
C1	O4	H10	107.218	C2	C1	C3	60.778
C2	C1	O4	115.690	C2	C1	H5	117.712
C2	C3	H8	118.698	C2	C3	H9	116.742
C3	C1	O4	118.968	C3	C1	H5	117.738
C3	C2	H6	118.710	C3	C2	H7	116.891
O4	C1	H5	115.140	H6	C2	H7	115.510
H8	C3	H9	115.431

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)