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	hartrees
Energy at 0K	-192.955991
Energy at 298.15K	-192.962971
HF Energy	-192.719333
Nuclear repulsion energy	124.571141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3843	3843	23.50
2	A	3279	3279	10.21
3	A	3263	3263	2.22
4	A	3182	3182	5.27
5	A	3172	3172	11.71
6	A	3143	3143	34.68
7	A	1520	1520	13.91
8	A	1468	1468	1.27
9	A	1433	1433	7.07
10	A	1316	1316	75.69
11	A	1248	1248	53.46
12	A	1207	1207	0.24
13	A	1204	1204	6.71
14	A	1143	1143	0.60
15	A	1078	1078	1.77
16	A	1060	1060	19.57
17	A	1004	1004	9.62
18	A	943	943	20.69
19	A	845	845	9.08
20	A	826	826	4.88
21	A	763	763	2.70
22	A	406	406	21.90
23	A	404	404	3.86
24	A	321	321	98.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.014	0.480
C2	0.908	-0.741	-0.135
C3	0.884	0.772	-0.137
O4	-1.456	-0.112	-0.198
H5	-0.313	-0.017	1.565
H6	1.606	-1.251	0.513
H7	0.705	-1.235	-1.075
H8	1.565	1.305	0.513
H9	0.674	1.256	-1.081
H10	-1.907	0.731	-0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4912	1.5031	1.3965	1.0869	2.2223	2.1918	2.2353	2.2097	1.9180
C2	1.4912		1.5140	2.4470	2.2147	1.0812	1.0811	2.2454	2.2220	3.1769
C3	1.5031	1.5140		2.5022	2.2252	2.2450	2.2233	1.0818	1.0817	2.7914
O4	1.3965	2.4470	2.5022		2.1024	3.3440	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	2.4261
H6	2.2223	1.0812	2.2450	3.3440	2.5125		1.8267	2.5570	3.1140	4.0813
H7	2.1918	1.0811	2.2233	2.5891	3.0806	1.8267		3.1171	2.4907	3.4108
H8	2.2353	2.2454	1.0818	3.4120	2.5269	2.5570	3.1171		1.8273	3.5732
H9	2.2097	2.2220	1.0817	2.6810	3.0979	3.1140	2.4907	1.8273		2.8090
H10	1.9180	3.1769	2.7914	0.9607	2.4261	4.0813	3.4108	3.5732	2.8090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.017	C1	C2	H6	118.653
C1	C2	H7	115.961	C1	C3	C2	59.240
C1	C3	H8	118.800	C1	C3	H9	116.550
C1	O4	H10	107.470	C2	C1	C3	60.743
C2	C1	O4	115.820	C2	C1	H5	117.556
C2	C3	H8	118.824	C2	C3	H9	116.767
C3	C1	O4	119.253	C3	C1	H5	117.541
C3	C2	H6	118.838	C3	C2	H7	116.925
O4	C1	H5	115.112	H6	C2	H7	115.309
H8	C3	H9	115.259

All results from a given calculation for C₃H₅OH (Cyclopropanol)

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

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)