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	hartrees
Energy at 0K	-192.922531
Energy at 298.15K	-192.929534
HF Energy	-192.922531
Nuclear repulsion energy	124.717879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3832	3673	13.28
2	A	3253	3118	18.39
3	A	3235	3101	3.82
4	A	3159	3028	7.91
5	A	3148	3017	18.35
6	A	3121	2992	44.32
7	A	1526	1463	19.30
8	A	1457	1397	4.54
9	A	1434	1374	2.54
10	A	1320	1265	105.14
11	A	1255	1203	47.35
12	A	1208	1158	5.56
13	A	1204	1154	0.26
14	A	1125	1078	0.98
15	A	1065	1021	6.64
16	A	1053	1009	22.15
17	A	1005	963	10.73
18	A	951	911	26.99
19	A	851	815	11.81
20	A	827	793	6.67
21	A	771	739	3.18
22	A	412	395	27.64
23	A	408	391	9.59
24	A	334	320	122.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.013	0.478
C2	0.904	-0.740	-0.133
C3	0.885	0.769	-0.137
O4	-1.452	-0.109	-0.200
H5	-0.317	-0.015	1.566
H6	1.603	-1.256	0.516
H7	0.697	-1.236	-1.075
H8	1.570	1.304	0.513
H9	0.679	1.253	-1.086
H10	-1.922	0.721	-0.087

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4865	1.5015	1.3927	1.0903	2.2225	2.1871	2.2379	2.2115	1.9211
C2	1.4865		1.5093	2.4399	2.2143	1.0842	1.0840	2.2446	2.2202	3.1818
C3	1.5015	1.5093		2.4975	2.2269	2.2454	2.2216	1.0850	1.0847	2.8081
O4	1.3927	2.4399	2.4975		2.1010	3.3405	2.5793	3.4113	2.6795	0.9607
H5	1.0903	2.2143	2.2269	2.1010		2.5155	3.0806	2.5314	3.1031	2.4189
H6	2.2225	1.0842	2.2454	3.3405	2.5155		1.8304	2.5598	3.1164	4.0862
H7	2.1871	1.0840	2.2216	2.5793	3.0806	1.8304		3.1198	2.4889	3.4152
H8	2.2379	2.2446	1.0850	3.4113	2.5314	2.5598	3.1198		1.8311	3.5909
H9	2.2115	2.2202	1.0847	2.6795	3.1031	3.1164	2.4889	1.8311		2.8361
H10	1.9211	3.1818	2.8081	0.9607	2.4189	4.0862	3.4152	3.5909	2.8361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.153	C1	C2	H6	118.829
C1	C2	H7	115.725	C1	C3	C2	59.168
C1	C3	H8	118.940	C1	C3	H9	116.618
C1	O4	H10	108.028	C2	C1	C3	60.679
C2	C1	O4	115.831	C2	C1	H5	117.657
C2	C3	H8	118.899	C2	C3	H9	116.766
C3	C1	O4	119.251	C3	C1	H5	117.582
C3	C2	H6	119.026	C3	C2	H7	116.938
O4	C1	H5	115.047	H6	C2	H7	115.168
H8	C3	H9	115.115

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBE1PBE/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	-0.031
2	C	-0.469
3	C	-0.482
4	O	-0.555
5	H	0.208
6	H	0.233
7	H	0.246
8	H	0.227
9	H	0.234
10	H	0.390

	x	y	z	Total
	0.276	1.416	0.736	1.619
CHELPG
AIM
ESP

	x	y	z
x	5.537	-0.191	0.053
y	-0.191	5.273	0.007
z	0.053	0.007	4.830

<r²>	72.881
(<r²>)^1/2	8.537

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)