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	hartrees
Energy at 0K	-192.824214
Energy at 298.15K	-192.831263
HF Energy	-191.985106
Nuclear repulsion energy	125.107479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3899	3697	30.94
2	A	3273	3103	11.07
3	A	3257	3088	2.06
4	A	3198	3032	4.33
5	A	3188	3023	12.71
6	A	3178	3013	25.34
7	A	1549	1469	16.86
8	A	1486	1409	2.18
9	A	1454	1378	7.20
10	A	1335	1266	79.59
11	A	1270	1204	49.59
12	A	1221	1158	4.40
13	A	1218	1155	0.94
14	A	1160	1100	0.86
15	A	1095	1038	1.05
16	A	1074	1019	20.46
17	A	1017	964	9.86
18	A	964	914	24.92
19	A	857	812	9.78
20	A	839	795	7.04
21	A	773	733	3.53
22	A	418	396	19.47
23	A	413	391	6.11
24	A	321	304	103.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	-0.017	0.482
C2	0.906	-0.738	-0.138
C3	0.875	0.772	-0.135
O4	-1.450	-0.112	-0.195
H5	-0.307	-0.026	1.557
H6	1.608	-1.240	0.502
H7	0.698	-1.224	-1.075
H8	1.556	1.299	0.511
H9	0.659	1.252	-1.073
H10	-1.895	0.731	-0.112

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4839	1.4948	1.3947	1.0783	2.2110	2.1786	2.2214	2.1971	1.9158
C2	1.4839		1.5103	2.4377	2.2027	1.0750	1.0752	2.2338	2.2124	3.1620
C3	1.4948	1.5103		2.4888	2.2136	2.2342	2.2132	1.0755	1.0757	2.7705
O4	1.3947	2.4377	2.4888		2.0938	3.3328	2.5734	3.3945	2.6615	0.9569
H5	1.0783	2.2027	2.2136	2.0938		2.5008	3.0613	2.5137	3.0802	2.4253
H6	2.2110	1.0750	2.2342	3.3328	2.5008		1.8205	2.5388	3.0971	4.0657
H7	2.1786	1.0752	2.2132	2.5734	3.0613	1.8205		3.1000	2.4763	3.3864
H8	2.2214	2.2338	1.0755	3.3945	2.5137	2.5388	3.1000		1.8205	3.5518
H9	2.1971	2.2124	1.0757	2.6615	3.0802	3.0971	2.4763	1.8205		2.7781
H10	1.9158	3.1620	2.7705	0.9569	2.4253	4.0657	3.3864	3.5518	2.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.893	C1	C2	H6	118.671
C1	C2	H7	115.788	C1	C3	C2	59.178
C1	C3	H8	118.688	C1	C3	H9	116.511
C1	O4	H10	107.649	C2	C1	C3	60.930
C2	C1	O4	115.706	C2	C1	H5	117.692
C2	C3	H8	118.538	C2	C3	H9	116.637
C3	C1	O4	118.887	C3	C1	H5	117.781
C3	C2	H6	118.608	C3	C2	H7	116.739
O4	C1	H5	115.111	H6	C2	H7	115.703
H8	C3	H9	115.624

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: CCSD=FULL/cc-pVTZ

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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All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)