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	hartrees
Energy at 0K	-191.907421
Energy at 298.15K	-191.914643
HF Energy	-191.907421
Nuclear repulsion energy	125.325852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4097	3681	44.73
2	A	3408	3062	25.42
3	A	3389	3045	5.95
4	A	3324	2986	13.18
5	A	3310	2974	31.13
6	A	3306	2970	34.22
7	A	1668	1499	15.41
8	A	1600	1438	0.58
9	A	1558	1400	14.33
10	A	1428	1283	132.33
11	A	1346	1210	41.95
12	A	1313	1179	0.47
13	A	1299	1167	3.70
14	A	1254	1126	1.21
15	A	1205	1083	0.41
16	A	1184	1064	11.69
17	A	1081	971	12.09
18	A	1027	922	31.79
19	A	910	818	11.35
20	A	889	799	9.66
21	A	826	742	4.67
22	A	445	400	24.63
23	A	437	392	8.26
24	A	351	315	132.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.021	0.475
C2	0.909	-0.734	-0.137
C3	0.873	0.772	-0.131
O4	-1.446	-0.111	-0.197
H5	-0.324	-0.032	1.550
H6	1.607	-1.237	0.508
H7	0.720	-1.227	-1.073
H8	1.547	1.303	0.519
H9	0.671	1.262	-1.068
H10	-1.911	0.710	-0.108

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4827	1.4941	1.3854	1.0781	2.2107	2.1839	2.2229	2.2028	1.9164
C2	1.4827		1.5067	2.4368	2.2038	1.0756	1.0748	2.2329	2.2150	3.1682
C3	1.4941	1.5067		2.4830	2.2149	2.2327	2.2155	1.0761	1.0758	2.7853
O4	1.3854	2.4368	2.4830		2.0780	3.3303	2.5894	3.3870	2.6694	0.9475
H5	1.0781	2.2038	2.2149	2.0780		2.5036	3.0653	2.5188	3.0846	2.4121
H6	2.2107	1.0756	2.2327	3.3303	2.5036		1.8129	2.5406	3.0990	4.0683
H7	2.1839	1.0748	2.2155	2.5894	3.0653	1.8129		3.1014	2.4895	3.4066
H8	2.2229	2.2329	1.0761	3.3870	2.5188	2.5406	3.1014		1.8128	3.5642
H9	2.2028	2.2150	1.0758	2.6694	3.0846	3.0990	2.4895	1.8128		2.8095
H10	1.9164	3.1682	2.7853	0.9475	2.4121	4.0683	3.4066	3.5642	2.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.967	C1	C2	H6	118.698
C1	C2	H7	116.368	C1	C3	C2	59.220
C1	C3	H8	118.838	C1	C3	H9	117.058
C1	O4	H10	109.016	C2	C1	C3	60.814
C2	C1	O4	116.299	C2	C1	H5	117.893
C2	C3	H8	118.706	C2	C3	H9	117.132
C3	C1	O4	119.100	C3	C1	H5	117.969
C3	C2	H6	118.730	C3	C2	H7	117.248
O4	C1	H5	114.442	H6	C2	H7	114.929
H8	C3	H9	114.791

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/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	0.150
2	C	-0.376
3	C	-0.401
4	O	-0.733
5	H	0.169
6	H	0.182
7	H	0.201
8	H	0.179
9	H	0.189
10	H	0.440

	x	y	z	Total
	0.446	1.455	0.761	1.701
CHELPG
AIM
ESP

	x	y	z
x	4.900	-0.188	0.115
y	-0.188	4.755	0.001
z	0.115	0.001	4.353

<r²>	72.383
(<r²>)^1/2	8.508

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)