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	hartrees
Energy at 0K	-192.858331
Energy at 298.15K	-192.865189
HF Energy	-192.858331
Nuclear repulsion energy	123.499818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3552	6.34
2	A	3180	3128	14.19
3	A	3164	3112	3.32
4	A	3091	3040	7.70
5	A	3081	3030	14.53
6	A	3028	2978	48.14
7	A	1479	1454	14.45
8	A	1427	1404	1.98
9	A	1393	1370	6.28
10	A	1278	1257	72.68
11	A	1210	1190	48.72
12	A	1168	1149	10.81
13	A	1166	1147	1.41
14	A	1088	1070	1.09
15	A	1027	1011	8.99
16	A	1015	998	20.70
17	A	971	955	9.02
18	A	911	896	19.77
19	A	822	809	9.51
20	A	800	786	4.81
21	A	741	729	2.41
22	A	396	390	23.27
23	A	392	386	13.84
24	A	324	319	96.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	-0.010	0.483
C2	0.911	-0.747	-0.134
C3	0.896	0.773	-0.139
O4	-1.469	-0.112	-0.200
H5	-0.314	-0.011	1.581
H6	1.612	-1.270	0.524
H7	0.707	-1.249	-1.084
H8	1.587	1.314	0.516
H9	0.692	1.262	-1.097
H10	-1.919	0.751	-0.095

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5008	1.5146	1.4085	1.1013	2.2419	2.2112	2.2573	2.2321	1.9301
C2	1.5008		1.5205	2.4644	2.2327	1.0941	1.0938	2.2639	2.2386	3.2022
C3	1.5146	1.5205		2.5265	2.2453	2.2643	2.2404	1.0949	1.0945	2.8153
O4	1.4085	2.4644	2.5265		2.1257	3.3702	2.6091	3.4478	2.7133	0.9792
H5	1.1013	2.2327	2.2453	2.1257		2.5325	3.1109	2.5504	3.1316	2.4427
H6	2.2419	1.0941	2.2643	3.3702	2.5325		1.8450	2.5835	3.1438	4.1151
H7	2.2112	1.0938	2.2404	2.6091	3.1109	1.8450		3.1470	2.5112	3.4455
H8	2.2573	2.2639	1.0949	3.4478	2.5504	2.5835	3.1470		1.8459	3.6029
H9	2.2321	2.2386	1.0945	2.7133	3.1316	3.1438	2.5112	1.8459		2.8424
H10	1.9301	3.2022	2.8153	0.9792	2.4427	4.1151	3.4455	3.6029	2.8424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.168	C1	C2	H6	118.688
C1	C2	H7	116.022	C1	C3	C2	59.273
C1	C3	H8	118.899	C1	C3	H9	116.720
C1	O4	H10	106.483	C2	C1	C3	60.560
C2	C1	O4	115.749	C2	C1	H5	117.367
C2	C3	H8	119.009	C2	C3	H9	116.818
C3	C1	O4	119.568	C3	C1	H5	117.389
C3	C2	H6	119.096	C3	C2	H7	117.019
O4	C1	H5	115.220	H6	C2	H7	114.976
H8	C3	H9	114.943

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/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
	0.280	1.326	0.595	1.481
CHELPG
AIM
ESP

	x	y	z
x	5.429	-0.222	0.166
y	-0.222	5.073	0.013
z	0.166	0.013	4.692

<r²>	73.817
(<r²>)^1/2	8.592

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)