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	hartrees
Energy at 0K	-192.873414
Energy at 298.15K	-192.880253
HF Energy	-192.873414
Nuclear repulsion energy	123.394739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3619	13.44
2	A	3171	3153	10.37
3	A	3155	3137	2.76
4	A	3071	3053	5.64
5	A	3060	3042	12.95
6	A	3007	2989	45.76
7	A	1442	1433	20.42
8	A	1366	1358	2.35
9	A	1354	1346	2.40
10	A	1259	1252	79.71
11	A	1198	1191	41.39
12	A	1150	1143	12.07
13	A	1139	1132	0.12
14	A	1064	1058	1.16
15	A	1005	999	9.07
16	A	995	989	15.51
17	A	956	951	8.82
18	A	903	897	19.58
19	A	812	807	9.37
20	A	784	780	4.42
21	A	731	726	2.64
22	A	392	390	9.43
23	A	388	386	17.89
24	A	319	317	92.53

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	-1.467	-0.112	-0.202
H5	-0.311	-0.004	1.589
H6	1.615	-1.274	0.528
H7	0.694	-1.252	-1.086
H8	1.595	1.317	0.513
H9	0.683	1.258	-1.106
H10	-1.925	0.744	-0.080

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5022	1.5165	1.4065	1.1078	2.2488	2.2110	2.2648	2.2326	1.9262
C2	1.5022		1.5230	2.4611	2.2378	1.0993	1.0995	2.2700	2.2423	3.2038
C3	1.5165	1.5230		2.5247	2.2497	2.2709	2.2442	1.1003	1.1000	2.8226
O4	1.4065	2.4611	2.5247		2.1338	3.3732	2.5977	3.4529	2.7046	0.9781
H5	1.1078	2.2378	2.2497	2.1338		2.5394	3.1179	2.5563	3.1378	2.4386
H6	2.2488	1.0993	2.2709	3.3732	2.5394		1.8582	2.5905	3.1540	4.1194
H7	2.2110	1.0995	2.2442	2.5977	3.1179	1.8582		3.1570	2.5099	3.4427
H8	2.2648	2.2700	1.1003	3.4529	2.5563	2.5905	3.1570		1.8593	3.6147
H9	2.2326	2.2423	1.1000	2.7046	3.1378	3.1540	2.5099	1.8593		2.8496
H10	1.9262	3.2038	2.8226	0.9781	2.4386	4.1194	3.4427	3.6147	2.8496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.163	C1	C2	H6	118.809
C1	C2	H7	115.511	C1	C3	C2	59.239
C1	C3	H8	119.025	C1	C3	H9	116.234
C1	O4	H10	106.367	C2	C1	C3	60.597
C2	C1	O4	115.539	C2	C1	H5	117.245
C2	C3	H8	118.963	C2	C3	H9	116.561
C3	C1	O4	119.430	C3	C1	H5	117.169
C3	C2	H6	119.104	C3	C2	H7	116.759
O4	C1	H5	115.626	H6	C2	H7	115.363
H8	C3	H9	115.352

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/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
	0.125	1.219	0.595	1.362
CHELPG
AIM
ESP

	x	y	z
x	5.739	-0.217	0.108
y	-0.217	5.371	0.009
z	0.108	0.009	5.016

<r²>	74.023
(<r²>)^1/2	8.604

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)