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	hartrees
Energy at 0K	-193.077682
Energy at 298.15K	-193.084665
HF Energy	-193.077682
Nuclear repulsion energy	124.471501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3657	11.43
2	A	3235	3115	20.07
3	A	3218	3098	3.90
4	A	3143	3025	9.02
5	A	3131	3015	19.81
6	A	3104	2988	45.89
7	A	1518	1461	17.20
8	A	1456	1402	4.17
9	A	1428	1374	2.93
10	A	1312	1263	95.86
11	A	1243	1196	53.80
12	A	1200	1156	0.19
13	A	1198	1154	6.30
14	A	1121	1079	1.05
15	A	1061	1021	5.16
16	A	1045	1006	25.25
17	A	997	959	11.05
18	A	940	905	25.91
19	A	844	813	11.08
20	A	822	792	6.83
21	A	767	738	3.76
22	A	410	395	24.07
23	A	405	390	12.61
24	A	332	319	122.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.012	0.478
C2	0.906	-0.742	-0.133
C3	0.889	0.770	-0.137
O4	-1.456	-0.109	-0.200
H5	-0.318	-0.014	1.566
H6	1.603	-1.259	0.518
H7	0.702	-1.238	-1.075
H8	1.573	1.305	0.514
H9	0.686	1.254	-1.087
H10	-1.929	0.722	-0.085

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4888	1.5044	1.3969	1.0905	2.2244	2.1908	2.2404	2.2154	1.9262
C2	1.4888		1.5120	2.4467	2.2164	1.0845	1.0841	2.2475	2.2230	3.1906
C3	1.5044	1.5120		2.5055	2.2296	2.2483	2.2244	1.0853	1.0849	2.8185
O4	1.3969	2.4467	2.5055		2.1033	3.3462	2.5882	3.4185	2.6897	0.9625
H5	1.0905	2.2164	2.2296	2.1033		2.5172	3.0839	2.5337	3.1066	2.4209
H6	2.2244	1.0845	2.2483	3.3462	2.5172		1.8299	2.5635	3.1192	4.0936
H7	2.1908	1.0841	2.2244	2.5882	3.0839	1.8299		3.1225	2.4926	3.4266
H8	2.2404	2.2475	1.0853	3.4185	2.5337	2.5635	3.1225		1.8307	3.6000
H9	2.2154	2.2230	1.0849	2.6897	3.1066	3.1192	2.4926	1.8307		2.8502
H10	1.9262	3.1906	2.8185	0.9625	2.4209	4.0936	3.4266	3.6000	2.8502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.169	C1	C2	H6	118.788
C1	C2	H7	115.854	C1	C3	C2	59.153
C1	C3	H8	118.903	C1	C3	H9	116.728
C1	O4	H10	108.039	C2	C1	C3	60.678
C2	C1	O4	115.924	C2	C1	H5	117.645
C2	C3	H8	118.924	C2	C3	H9	116.795
C3	C1	O4	119.401	C3	C1	H5	117.572
C3	C2	H6	119.049	C3	C2	H7	116.961
O4	C1	H5	114.911	H6	C2	H7	115.081
H8	C3	H9	115.044

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3PW91/6-311G*

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	-0.025
2	C	-0.461
3	C	-0.475
4	O	-0.555
5	H	0.205
6	H	0.229
7	H	0.242
8	H	0.223
9	H	0.230
10	H	0.387

	x	y	z	Total
	0.291	1.413	0.741	1.622
CHELPG
AIM
ESP

	x	y	z
x	5.571	-0.191	0.049
y	-0.191	5.296	0.008
z	0.049	0.008	4.836

<r²>	73.125
(<r²>)^1/2	8.551

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)