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	hartrees
Energy at 0K	-193.056539
Energy at 298.15K	-193.063507
HF Energy	-193.056539
Nuclear repulsion energy	123.009521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3585	3449	1.42
2	A	3270	3147	19.76
3	A	3251	3128	3.95
4	A	3174	3054	8.45
5	A	3162	3042	17.38
6	A	3148	3028	39.30
7	A	1531	1473	7.18
8	A	1504	1447	3.21
9	A	1434	1380	5.84
10	A	1298	1248	37.72
11	A	1222	1175	2.00
12	A	1220	1174	59.95
13	A	1181	1136	17.58
14	A	1152	1108	1.15
15	A	1113	1071	3.78
16	A	1088	1047	28.45
17	A	977	940	12.83
18	A	944	908	28.12
19	A	852	820	12.43
20	A	824	793	7.37
21	A	769	740	6.71
22	A	394	379	8.94
23	A	392	377	27.65
24	A	333	320	146.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	-0.002	0.494
C2	0.909	-0.753	-0.133
C3	0.908	0.773	-0.146
O4	-1.479	-0.108	-0.204
H5	-0.314	0.001	1.578
H6	1.607	-1.276	0.512
H7	0.688	-1.254	-1.069
H8	1.601	1.306	0.496
H9	0.701	1.256	-1.094
H10	-1.990	0.722	-0.080

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5003	1.5167	1.4363	1.0875	2.2335	2.2017	2.2490	2.2291	1.9899
C2	1.5003		1.5264	2.4748	2.2349	1.0842	1.0837	2.2619	2.2371	3.2536
C3	1.5167	1.5264		2.5446	2.2497	2.2627	2.2380	1.0849	1.0844	2.8993
O4	1.4363	2.4748	2.5446		2.1318	3.3760	2.5994	3.4606	2.7209	0.9821
H5	1.0875	2.2349	2.2497	2.1318		2.5413	3.0958	2.5581	3.1221	2.4654
H6	2.2335	1.0842	2.2627	3.3760	2.5413		1.8278	2.5824	3.1324	4.1568
H7	2.2017	1.0837	2.2380	2.5994	3.0958	1.8278		3.1362	2.5103	3.4719
H8	2.2490	2.2619	1.0849	3.4606	2.5581	2.5824	3.1362		1.8282	3.6842
H9	2.2291	2.2371	1.0844	2.7209	3.1221	3.1324	2.5103	1.8282		2.9253
H10	1.9899	3.2536	2.8993	0.9821	2.4654	4.1568	3.4719	3.6842	2.9253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.139	C1	C2	H6	118.703
C1	C2	H7	115.940	C1	C3	C2	59.075
C1	C3	H8	118.710	C1	C3	H9	116.988
C1	O4	H10	109.286	C2	C1	C3	60.786
C2	C1	O4	114.847	C2	C1	H5	118.581
C2	C3	H8	119.071	C2	C3	H9	116.923
C3	C1	O4	118.985	C3	C1	H5	118.577
C3	C2	H6	119.193	C3	C2	H7	117.048
O4	C1	H5	114.561	H6	C2	H7	114.947
H8	C3	H9	114.868

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: TPSSh/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	0.040
2	C	-0.314
3	C	-0.336
4	O	-0.598
5	H	0.159
6	H	0.165
7	H	0.188
8	H	0.160
9	H	0.174
10	H	0.362

	x	y	z	Total
	0.527	1.528	0.858	1.830
CHELPG
AIM
ESP

	x	y	z
x	5.329	-0.254	0.197
y	-0.254	4.891	0.043
z	0.197	0.043	4.452

<r²>	74.467
(<r²>)^1/2	8.629

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)