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	hartrees
Energy at 0K	-192.909020
Energy at 298.15K	-192.916013
HF Energy	-192.909020
Nuclear repulsion energy	124.661328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3865	3688	19.90
2	A	3272	3122	11.30
3	A	3256	3107	3.01
4	A	3177	3031	6.05
5	A	3166	3021	13.08
6	A	3132	2988	40.71
7	A	1528	1458	19.38
8	A	1459	1393	2.44
9	A	1434	1368	7.21
10	A	1310	1250	85.33
11	A	1257	1200	55.61
12	A	1211	1156	6.74
13	A	1201	1146	0.13
14	A	1132	1080	0.80
15	A	1074	1025	5.91
16	A	1064	1016	19.73
17	A	1009	963	8.45
18	A	952	909	24.34
19	A	852	813	11.12
20	A	828	791	5.20
21	A	768	733	2.39
22	A	412	393	19.79
23	A	407	388	11.42
24	A	328	313	111.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.014	0.479
C2	0.906	-0.738	-0.135
C3	0.883	0.770	-0.136
O4	-1.454	-0.111	-0.198
H5	-0.312	-0.019	1.568
H6	1.607	-1.252	0.514
H7	0.703	-1.235	-1.078
H8	1.567	1.305	0.515
H9	0.675	1.256	-1.084
H10	-1.906	0.733	-0.101

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4886	1.5009	1.3937	1.0914	2.2239	2.1919	2.2375	2.2121	1.9165
C2	1.4886		1.5084	2.4430	2.2143	1.0851	1.0849	2.2441	2.2211	3.1746
C3	1.5009	1.5084		2.4984	2.2261	2.2443	2.2227	1.0857	1.0856	2.7898
O4	1.3937	2.4430	2.4984		2.1048	3.3436	2.5864	3.4123	2.6813	0.9629
H5	1.0914	2.2143	2.2261	2.1048		2.5128	3.0837	2.5293	3.1041	2.4278
H6	2.2239	1.0851	2.2443	3.3436	2.5128		1.8313	2.5580	3.1174	4.0824
H7	2.1919	1.0849	2.2227	2.5864	3.0837	1.8313		3.1208	2.4921	3.4112
H8	2.2375	2.2441	1.0857	3.4123	2.5293	2.5580	3.1208		1.8315	3.5741
H9	2.2121	2.2211	1.0856	2.6813	3.1041	3.1174	2.4921	1.8315		2.8113
H10	1.9165	3.1746	2.7898	0.9629	2.4278	4.0824	3.4112	3.5741	2.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.101	C1	C2	H6	118.728
C1	C2	H7	115.918	C1	C3	C2	59.293
C1	C3	H8	118.899	C1	C3	H9	116.660
C1	O4	H10	107.415	C2	C1	C3	60.606
C2	C1	O4	115.865	C2	C1	H5	117.420
C2	C3	H8	118.881	C2	C3	H9	116.854
C3	C1	O4	119.289	C3	C1	H5	117.480
C3	C2	H6	118.946	C3	C2	H7	117.043
O4	C1	H5	115.229	H6	C2	H7	115.118
H8	C3	H9	115.027

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HSEh1PBE/6-31G**

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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Number	Element	Mulliken
1	C	0.115
2	C	-0.285
3	C	-0.304
4	O	-0.540
5	H	0.119
6	H	0.140
7	H	0.156
8	H	0.136
9	H	0.144
10	H	0.319

	x	y	z	Total
	0.315	1.355	0.630	1.527
CHELPG
AIM
ESP

	x	y	z
x	5.255	-0.207	0.145
y	-0.207	4.979	0.007
z	0.145	0.007	4.609

<r²>	72.659
(<r²>)^1/2	8.524

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)