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	hartrees
Energy at 0K	-192.895966
Energy at 298.15K	-192.902960
HF Energy	-192.895966
Nuclear repulsion energy	124.591609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3606	17.80
2	A	3274	3114	12.91
3	A	3258	3098	3.31
4	A	3183	3027	6.49
5	A	3172	3017	13.82
6	A	3137	2984	42.89
7	A	1539	1463	17.42
8	A	1474	1402	2.34
9	A	1444	1373	6.87
10	A	1324	1259	93.81
11	A	1262	1200	47.13
12	A	1215	1156	7.47
13	A	1209	1150	0.21
14	A	1137	1082	0.76
15	A	1079	1026	6.10
16	A	1069	1016	19.95
17	A	1012	963	8.52
18	A	957	910	24.09
19	A	856	814	11.10
20	A	833	792	5.38
21	A	772	734	2.51
22	A	413	392	23.92
23	A	407	387	10.57
24	A	331	315	111.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.014	0.479
C2	0.907	-0.739	-0.135
C3	0.883	0.770	-0.136
O4	-1.455	-0.112	-0.198
H5	-0.314	-0.020	1.568
H6	1.607	-1.253	0.516
H7	0.705	-1.237	-1.078
H8	1.568	1.306	0.516
H9	0.677	1.258	-1.084
H10	-1.908	0.736	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4887	1.5012	1.3944	1.0917	2.2245	2.1937	2.2385	2.2138	1.9188
C2	1.4887		1.5086	2.4441	2.2154	1.0859	1.0856	2.2451	2.2223	3.1778
C3	1.5012	1.5086		2.4998	2.2276	2.2452	2.2241	1.0865	1.0863	2.7917
O4	1.3944	2.4441	2.4998		2.1043	3.3449	2.5893	3.4143	2.6844	0.9667
H5	1.0917	2.2154	2.2276	2.1043		2.5141	3.0859	2.5315	3.1065	2.4281
H6	2.2245	1.0859	2.2452	3.3449	2.5141		1.8317	2.5592	3.1192	4.0858
H7	2.1937	1.0856	2.2241	2.5893	3.0859	1.8317		3.1226	2.4946	3.4170
H8	2.2385	2.2451	1.0865	3.4143	2.5315	2.5592	3.1226		1.8321	3.5758
H9	2.2138	2.2223	1.0863	2.6844	3.1065	3.1192	2.4946	1.8321		2.8144
H10	1.9188	3.1778	2.7917	0.9667	2.4281	4.0858	3.4170	3.5758	2.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.109	C1	C2	H6	118.702
C1	C2	H7	116.015	C1	C3	C2	59.289
C1	C3	H8	118.899	C1	C3	H9	116.729
C1	O4	H10	107.326	C2	C1	C3	60.602
C2	C1	O4	115.887	C2	C1	H5	117.480
C2	C3	H8	118.890	C2	C3	H9	116.895
C3	C1	O4	119.330	C3	C1	H5	117.559
C3	C2	H6	118.950	C3	C2	H7	117.101
O4	C1	H5	115.106	H6	C2	H7	115.036
H8	C3	H9	114.958

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HSEh1PBE/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	0.081
2	C	-0.372
3	C	-0.392
4	O	-0.622
5	H	0.159
6	H	0.181
7	H	0.197
8	H	0.177
9	H	0.185
10	H	0.408

	x	y	z	Total
	0.328	1.381	0.644	1.559
CHELPG
AIM
ESP

	x	y	z
x	5.194	-0.206	0.148
y	-0.206	4.921	0.008
z	0.148	0.008	4.546

<r²>	72.740
(<r²>)^1/2	8.529

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)