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	hartrees
Energy at 0K	-191.857291
Energy at 298.15K	-191.864478
HF Energy	-191.857291
Nuclear repulsion energy	123.853075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4053	3649	31.40
2	A	3447	3104	31.92
3	A	3427	3086	8.87
4	A	3368	3032	33.89
5	A	3340	3008	12.91
6	A	3326	2995	26.21
7	A	1646	1482	13.71
8	A	1604	1444	6.47
9	A	1537	1384	11.47
10	A	1382	1244	57.21
11	A	1328	1196	98.58
12	A	1314	1183	10.53
13	A	1285	1157	10.29
14	A	1264	1138	4.75
15	A	1229	1107	2.98
16	A	1205	1085	17.71
17	A	1055	950	12.93
18	A	1026	924	37.45
19	A	919	827	21.87
20	A	883	795	9.07
21	A	827	745	17.69
22	A	433	390	17.32
23	A	431	388	12.03
24	A	330	297	208.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	-0.018	0.489
C2	0.915	-0.747	-0.141
C3	0.894	0.780	-0.134
O4	-1.467	-0.105	-0.197
H5	-0.327	-0.029	1.558
H6	1.612	-1.256	0.494
H7	0.712	-1.239	-1.071
H8	1.573	1.304	0.511
H9	0.691	1.274	-1.065
H10	-1.988	0.690	-0.132

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4973	1.5139	1.4170	1.0730	2.2205	2.1945	2.2365	2.2218	1.9942
C2	1.4973		1.5274	2.4680	2.2238	1.0720	1.0717	2.2503	2.2331	3.2397
C3	1.5139	1.5274		2.5225	2.2378	2.2492	2.2340	1.0727	1.0730	2.8837
O4	1.4170	2.4680	2.5225		2.0950	3.3598	2.6077	3.4246	2.7042	0.9529
H5	1.0730	2.2238	2.2378	2.0950		2.5297	3.0753	2.5455	3.1005	2.4770
H6	2.2205	1.0720	2.2492	3.3598	2.5297		1.8055	2.5609	3.1114	4.1408
H7	2.1945	1.0717	2.2340	2.6077	3.0753	1.8055		3.1165	2.5135	3.4493
H8	2.2365	2.2503	1.0727	3.4246	2.5455	2.5609	3.1165		1.8057	3.6703
H9	2.2218	2.2331	1.0730	2.7042	3.1005	3.1114	2.5135	1.8057		2.8968
H10	1.9942	3.2397	2.8837	0.9529	2.4770	4.1408	3.4493	3.6703	2.8968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.058	C1	C2	H6	118.656
C1	C2	H7	116.367	C1	C3	C2	58.987
C1	C3	H8	118.688	C1	C3	H9	117.365
C1	O4	H10	113.138	C2	C1	C3	60.955
C2	C1	O4	115.714	C2	C1	H5	118.883
C2	C3	H8	118.831	C2	C3	H9	117.289
C3	C1	O4	118.742	C3	C1	H5	118.784
C3	C2	H6	118.785	C3	C2	H7	117.460
O4	C1	H5	113.859	H6	C2	H7	114.755
H8	C3	H9	114.613

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/SDD

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	0.042
2	C	-0.390
3	C	-0.435
4	O	-0.621
5	H	0.190
6	H	0.198
7	H	0.221
8	H	0.196
9	H	0.211
10	H	0.388

	x	y	z	Total
	0.688	1.709	0.974	2.084
CHELPG
AIM
ESP

	x	y	z
x	5.023	-0.218	-0.008
y	-0.218	4.896	0.013
z	-0.008	0.013	4.157

<r²>	74.187
(<r²>)^1/2	8.613

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)