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	hartrees
Energy at 0K	-192.873417
Energy at 298.15K	-192.880257
HF Energy	-192.873417
Nuclear repulsion energy	123.394638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3621	13.43
2	A	3171	3153	10.38
3	A	3156	3137	2.72
4	A	3071	3053	5.67
5	A	3060	3042	12.96
6	A	3007	2989	45.71
7	A	1442	1433	20.25
8	A	1365	1357	2.34
9	A	1354	1347	2.34
10	A	1260	1253	81.42
11	A	1198	1191	40.44
12	A	1150	1143	11.83
13	A	1139	1132	0.11
14	A	1064	1058	1.20
15	A	1005	999	9.40
16	A	995	989	15.18
17	A	956	950	8.82
18	A	903	898	19.49
19	A	812	807	9.31
20	A	784	779	4.42
21	A	732	727	2.64
22	A	392	390	9.20
23	A	388	386	18.60
24	A	319	317	92.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	-0.007	0.483
C2	0.909	-0.749	-0.132
C3	0.897	0.774	-0.142
O4	-1.466	-0.112	-0.202
H5	-0.312	-0.003	1.589
H6	1.615	-1.274	0.528
H7	0.694	-1.253	-1.085
H8	1.595	1.317	0.513
H9	0.683	1.257	-1.107
H10	-1.926	0.743	-0.078

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5023	1.5165	1.4065	1.1078	2.2488	2.2110	2.2649	2.2325	1.9264
C2	1.5023		1.5230	2.4609	2.2378	1.0993	1.0995	2.2700	2.2422	3.2047
C3	1.5165	1.5230		2.5247	2.2497	2.2708	2.2442	1.1003	1.1000	2.8245
O4	1.4065	2.4609	2.5247		2.1338	3.3731	2.5975	3.4530	2.7045	0.9781
H5	1.1078	2.2378	2.2497	2.1338		2.5395	3.1180	2.5564	3.1377	2.4375
H6	2.2488	1.0993	2.2708	3.3731	2.5395		1.8582	2.5904	3.1539	4.1198
H7	2.2110	1.0995	2.2442	2.5975	3.1180	1.8582		3.1569	2.5099	3.4438
H8	2.2649	2.2700	1.1003	3.4530	2.5564	2.5904	3.1569		1.8593	3.6164
H9	2.2325	2.2422	1.1000	2.7045	3.1377	3.1539	2.5099	1.8593		2.8522
H10	1.9264	3.2047	2.8245	0.9781	2.4375	4.1198	3.4438	3.6164	2.8522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.166	C1	C2	H6	118.812
C1	C2	H7	115.515	C1	C3	C2	59.239
C1	C3	H8	119.029	C1	C3	H9	116.222
C1	O4	H10	106.387	C2	C1	C3	60.595
C2	C1	O4	115.526	C2	C1	H5	117.250
C2	C3	H8	118.962	C2	C3	H9	116.558
C3	C1	O4	119.430	C3	C1	H5	117.171
C3	C2	H6	119.099	C3	C2	H7	116.764
O4	C1	H5	115.630	H6	C2	H7	115.357
H8	C3	H9	115.359

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/cc-pVDZ

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	0.019
2	C	-0.033
3	C	-0.055
4	O	-0.217
5	H	0.005
6	H	0.034
7	H	0.042
8	H	0.031
9	H	0.032
10	H	0.141

	x	y	z	Total
	0.122	1.217	0.598	1.362
CHELPG
AIM
ESP

	x	y	z
x	5.740	-0.216	0.107
y	-0.216	5.370	0.009
z	0.107	0.009	5.016

<r²>	74.024
(<r²>)^1/2	8.604

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)