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	hartrees
Energy at 0K	-192.858334
Energy at 298.15K	-192.865189
HF Energy	-192.858334
Nuclear repulsion energy	123.499766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3562	6.34
2	A	3181	3135	14.23
3	A	3165	3119	3.28
4	A	3092	3048	7.72
5	A	3081	3037	14.52
6	A	3029	2986	48.09
7	A	1479	1457	14.32
8	A	1427	1406	2.00
9	A	1393	1373	6.20
10	A	1279	1261	74.08
11	A	1210	1193	47.99
12	A	1168	1151	11.00
13	A	1166	1150	0.99
14	A	1088	1073	1.13
15	A	1028	1013	9.21
16	A	1015	1001	20.52
17	A	971	957	9.02
18	A	912	899	19.64
19	A	822	811	9.47
20	A	799	788	4.80
21	A	742	732	2.41
22	A	396	390	21.34
23	A	393	387	13.96
24	A	320	316	98.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	-0.009	0.482
C2	0.911	-0.747	-0.133
C3	0.896	0.773	-0.139
O4	-1.469	-0.112	-0.201
H5	-0.315	-0.011	1.581
H6	1.612	-1.270	0.524
H7	0.706	-1.249	-1.083
H8	1.587	1.314	0.516
H9	0.692	1.261	-1.098
H10	-1.921	0.750	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5008	1.5146	1.4085	1.1013	2.2422	2.2108	2.2574	2.2318	1.9305
C2	1.5008		1.5204	2.4643	2.2328	1.0941	1.0938	2.2640	2.2383	3.2033
C3	1.5146	1.5204		2.5265	2.2454	2.2644	2.2401	1.0949	1.0945	2.8174
O4	1.4085	2.4643	2.5265		2.1256	3.3702	2.6084	3.4479	2.7129	0.9792
H5	1.1013	2.2328	2.2454	2.1256		2.5330	3.1108	2.5507	3.1315	2.4418
H6	2.2422	1.0941	2.2644	3.3702	2.5330		1.8451	2.5840	3.1437	4.1159
H7	2.2108	1.0938	2.2401	2.6084	3.1108	1.8451		3.1469	2.5104	3.4463
H8	2.2574	2.2640	1.0949	3.4479	2.5507	2.5840	3.1469		1.8461	3.6047
H9	2.2318	2.2383	1.0945	2.7129	3.1315	3.1437	2.5104	1.8461		2.8449
H10	1.9305	3.2033	2.8174	0.9792	2.4418	4.1159	3.4463	3.6047	2.8449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.170	C1	C2	H6	118.712
C1	C2	H7	115.995	C1	C3	C2	59.273
C1	C3	H8	118.906	C1	C3	H9	116.692
C1	O4	H10	106.516	C2	C1	C3	60.557
C2	C1	O4	115.742	C2	C1	H5	117.377
C2	C3	H8	119.022	C2	C3	H9	116.797
C3	C1	O4	119.569	C3	C1	H5	117.395
C3	C2	H6	119.115	C3	C2	H7	116.998
O4	C1	H5	115.213	H6	C2	H7	114.979
H8	C3	H9	114.960

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/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	0.073
2	C	-0.340
3	C	-0.357
4	O	-0.575
5	H	0.140
6	H	0.165
7	H	0.180
8	H	0.160
9	H	0.168
10	H	0.387

	x	y	z	Total
	0.277	1.325	0.599	1.480
CHELPG
AIM
ESP

	x	y	z
x	5.431	-0.222	0.165
y	-0.222	5.072	0.014
z	0.165	0.014	4.692

<r²>	73.818
(<r²>)^1/2	8.592

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)