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	hartrees
Energy at 0K	-192.955989
Energy at 298.15K
HF Energy	-192.719331
Nuclear repulsion energy	124.571401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3843	3843	23.49
2	A	3278	3278	10.17
3	A	3263	3263	2.23
4	A	3182	3182	5.26
5	A	3172	3172	11.72
6	A	3143	3143	34.69
7	A	1520	1520	14.00
8	A	1468	1468	1.26
9	A	1433	1433	7.10
10	A	1315	1315	74.79
11	A	1248	1248	54.07
12	A	1207	1207	0.28
13	A	1204	1204	6.70
14	A	1142	1142	0.60
15	A	1078	1078	1.71
16	A	1060	1060	19.60
17	A	1004	1004	9.64
18	A	943	943	20.77
19	A	845	845	9.08
20	A	826	826	4.91
21	A	763	763	2.69
22	A	406	406	22.09
23	A	404	404	4.19
24	A	323	323	98.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.014	0.480
C2	0.908	-0.741	-0.135
C3	0.884	0.773	-0.137
O4	-1.456	-0.112	-0.197
H5	-0.313	-0.018	1.565
H6	1.607	-1.251	0.513
H7	0.705	-1.235	-1.076
H8	1.565	1.305	0.513
H9	0.674	1.256	-1.081
H10	-1.907	0.732	-0.105

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4912	1.5031	1.3965	1.0869	2.2223	2.1917	2.2352	2.2098	1.9180
C2	1.4912		1.5140	2.4471	2.2147	1.0812	1.0811	2.2454	2.2220	3.1767
C3	1.5031	1.5140		2.5022	2.2252	2.2450	2.2233	1.0818	1.0817	2.7910
O4	1.3965	2.4471	2.5022		2.1024	3.3441	2.5891	3.4120	2.6810	0.9607
H5	1.0869	2.2147	2.2252	2.1024		2.5125	3.0806	2.5269	3.0979	2.4263
H6	2.2223	1.0812	2.2450	3.3441	2.5125		1.8268	2.5571	3.1140	4.0811
H7	2.1917	1.0811	2.2233	2.5891	3.0806	1.8268		3.1171	2.4907	3.4105
H8	2.2352	2.2454	1.0818	3.4120	2.5269	2.5571	3.1171		1.8273	3.5728
H9	2.2098	2.2220	1.0817	2.6810	3.0979	3.1140	2.4907	1.8273		2.8085
H10	1.9180	3.1767	2.7910	0.9607	2.4263	4.0811	3.4105	3.5728	2.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.016	C1	C2	H6	118.653
C1	C2	H7	115.959	C1	C3	C2	59.239
C1	C3	H8	118.799	C1	C3	H9	116.554
C1	O4	H10	107.464	C2	C1	C3	60.745
C2	C1	O4	115.822	C2	C1	H5	117.556
C2	C3	H8	118.825	C2	C3	H9	116.769
C3	C1	O4	119.250	C3	C1	H5	117.542
C3	C2	H6	118.840	C3	C2	H7	116.922
O4	C1	H5	115.111	H6	C2	H7	115.311
H8	C3	H9	115.257

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)