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	hartrees
Energy at 0K	-192.953897
Energy at 298.15K	-192.960901
HF Energy	-192.953897
Nuclear repulsion energy	124.748710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3718	29.56
2	A	3251	3122	13.26
3	A	3234	3106	2.87
4	A	3156	3031	6.12
5	A	3146	3021	14.41
6	A	3118	2995	38.19
7	A	1513	1454	20.41
8	A	1445	1388	4.62
9	A	1419	1363	3.69
10	A	1309	1257	85.32
11	A	1249	1200	51.34
12	A	1202	1154	8.86
13	A	1195	1147	0.19
14	A	1123	1079	0.99
15	A	1065	1023	3.74
16	A	1052	1010	25.40
17	A	1003	963	10.70
18	A	947	910	26.20
19	A	847	813	11.85
20	A	825	792	6.48
21	A	767	737	3.20
22	A	412	396	17.27
23	A	408	392	11.01
24	A	328	315	111.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.014	0.480
C2	0.905	-0.739	-0.135
C3	0.883	0.770	-0.137
O4	-1.453	-0.110	-0.198
H5	-0.312	-0.019	1.567
H6	1.607	-1.253	0.511
H7	0.695	-1.232	-1.077
H8	1.568	1.304	0.513
H9	0.671	1.253	-1.084
H10	-1.907	0.729	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4870	1.5002	1.3944	1.0895	2.2223	2.1858	2.2353	2.2086	1.9159
C2	1.4870		1.5092	2.4410	2.2130	1.0834	1.0834	2.2429	2.2188	3.1723
C3	1.5002	1.5092		2.4965	2.2252	2.2440	2.2199	1.0842	1.0840	2.7901
O4	1.3944	2.4410	2.4965		2.1035	3.3418	2.5773	3.4097	2.6750	0.9596
H5	1.0895	2.2130	2.2252	2.1035		2.5136	3.0781	2.5283	3.1001	2.4238
H6	2.2223	1.0834	2.2440	3.3418	2.5136		1.8310	2.5567	3.1142	4.0796
H7	2.1858	1.0834	2.2199	2.5773	3.0781	1.8310		3.1174	2.4857	3.4020
H8	2.2353	2.2429	1.0842	3.4097	2.5283	2.5567	3.1174		1.8314	3.5741
H9	2.2086	2.2188	1.0840	2.6750	3.1001	3.1142	2.4857	1.8314		2.8096
H10	1.9159	3.1723	2.7901	0.9596	2.4238	4.0796	3.4020	3.5741	2.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.087	C1	C2	H6	118.827
C1	C2	H7	115.614	C1	C3	C2	59.222
C1	C3	H8	118.875	C1	C3	H9	116.516
C1	O4	H10	107.519	C2	C1	C3	60.691
C2	C1	O4	115.772	C2	C1	H5	117.564
C2	C3	H8	118.824	C2	C3	H9	116.705
C3	C1	O4	119.150	C3	C1	H5	117.586
C3	C2	H6	118.969	C3	C2	H7	116.847
O4	C1	H5	115.191	H6	C2	H7	115.350
H8	C3	H9	115.278

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HSEh1PBE/6-311G**

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	-0.000
2	C	-0.270
3	C	-0.283
4	O	-0.376
5	H	0.124
6	H	0.139
7	H	0.153
8	H	0.133
9	H	0.142
10	H	0.238

	x	y	z	Total
	0.307	1.329	0.686	1.527
CHELPG
AIM
ESP

	x	y	z
x	5.621	-0.187	0.045
y	-0.187	5.360	0.002
z	0.045	0.002	4.924

<r²>	72.801
(<r²>)^1/2	8.532

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)