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	hartrees
Energy at 0K	-191.988701
Energy at 298.15K	-191.995880
HF Energy	-191.988701
Nuclear repulsion energy	125.496886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4151	3755	58.82
2	A	3363	3042	23.42
3	A	3345	3026	3.47
4	A	3279	2966	12.01
5	A	3268	2956	26.98
6	A	3264	2953	24.13
7	A	1641	1484	18.55
8	A	1578	1427	1.54
9	A	1533	1387	14.94
10	A	1403	1269	105.49
11	A	1332	1205	57.53
12	A	1295	1172	0.37
13	A	1282	1159	2.46
14	A	1239	1121	1.85
15	A	1187	1074	0.39
16	A	1161	1050	13.14
17	A	1065	963	13.60
18	A	1012	915	27.77
19	A	895	810	11.94
20	A	875	791	10.70
21	A	810	733	6.13
22	A	443	401	15.42
23	A	436	394	7.05
24	A	323	292	122.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.020	0.472
C2	0.909	-0.734	-0.136
C3	0.873	0.772	-0.131
O4	-1.446	-0.110	-0.196
H5	-0.322	-0.030	1.545
H6	1.604	-1.234	0.510
H7	0.724	-1.225	-1.071
H8	1.542	1.301	0.521
H9	0.673	1.259	-1.067
H10	-1.919	0.698	-0.108

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4806	1.4916	1.3837	1.0757	2.2055	2.1812	2.2167	2.1985	1.9187
C2	1.4806		1.5068	2.4365	2.1984	1.0729	1.0725	2.2303	2.2120	3.1698
C3	1.4916	1.5068		2.4816	2.2092	2.2296	2.2126	1.0734	1.0732	2.7932
O4	1.3837	2.4365	2.4816		2.0730	3.3262	2.5919	3.3808	2.6687	0.9404
H5	1.0757	2.1984	2.2092	2.0730		2.4954	3.0600	2.5090	3.0776	2.4107
H6	2.2055	1.0729	2.2296	3.3262	2.4954		1.8101	2.5358	3.0931	4.0654
H7	2.1812	1.0725	2.2126	2.5919	3.0600	1.8101		3.0961	2.4843	3.4077
H8	2.2167	2.2303	1.0734	3.3808	2.5090	2.5358	3.0961		1.8102	3.5689
H9	2.1985	2.2120	1.0732	2.6687	3.0776	3.0931	2.4843	1.8102		2.8204
H10	1.9187	3.1698	2.7932	0.9404	2.4107	4.0654	3.4077	3.5689	2.8204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.902	C1	C2	H6	118.605
C1	C2	H7	116.464	C1	C3	C2	59.177
C1	C3	H8	118.675	C1	C3	H9	117.066
C1	O4	H10	109.820	C2	C1	C3	60.921
C2	C1	O4	116.523	C2	C1	H5	117.768
C2	C3	H8	118.664	C2	C3	H9	117.050
C3	C1	O4	119.282	C3	C1	H5	117.834
C3	C2	H6	118.635	C3	C2	H7	117.149
O4	C1	H5	114.313	H6	C2	H7	115.071
H8	C3	H9	114.975

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/daug-cc-pVTZ

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	0.548
2	C	-1.511
3	C	-1.715
4	O	-0.926
5	H	0.816
6	H	0.679
7	H	0.633
8	H	0.661
9	H	0.543
10	H	0.272

	x	y	z	Total
	0.466	1.335	0.747	1.599
CHELPG
AIM
ESP

	x	y	z
x	5.964	-0.110	-0.072
y	-0.110	5.749	-0.008
z	-0.072	-0.008	5.165

<r²>	72.454
(<r²>)^1/2	8.512

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)