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	hartrees
Energy at 0K	-191.810487
Energy at 298.15K	-191.817432
HF Energy	-191.810487
Nuclear repulsion energy	123.373765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3530	3388	1.13
2	A	3299	3166	5.83
3	A	3281	3149	1.74
4	A	3197	3069	3.16
5	A	3187	3059	7.42
6	A	3153	3026	35.09
7	A	1516	1455	9.55
8	A	1485	1426	8.44
9	A	1445	1387	1.94
10	A	1309	1257	60.41
11	A	1212	1164	0.52
12	A	1202	1154	66.30
13	A	1191	1143	5.27
14	A	1155	1108	0.51
15	A	1099	1055	6.50
16	A	1071	1028	41.00
17	A	985	946	10.46
18	A	925	888	24.41
19	A	843	809	9.21
20	A	817	784	4.42
21	A	773	742	4.42
22	A	396	380	26.10
23	A	374	359	13.05
24	A	339	325	127.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	-0.003	0.495
C2	0.905	-0.753	-0.136
C3	0.902	0.773	-0.148
O4	-1.471	-0.111	-0.198
H5	-0.279	0.003	1.583
H6	1.608	-1.270	0.505
H7	0.657	-1.237	-1.073
H8	1.599	1.296	0.496
H9	0.679	1.242	-1.099
H10	-1.948	0.752	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5013	1.5166	1.4244	1.0887	2.2343	2.1849	2.2448	2.2184	1.9653
C2	1.5013		1.5262	2.4619	2.2206	1.0831	1.0833	2.2544	2.2264	3.2259
C3	1.5166	1.5262		2.5327	2.2321	2.2581	2.2263	1.0838	1.0838	2.8505
O4	1.4244	2.4619	2.5327		2.1463	3.3645	2.5615	3.4479	2.6953	0.9918
H5	1.0887	2.2206	2.2321	2.1463		2.5195	3.0776	2.5259	3.1058	2.4811
H6	2.2343	1.0831	2.2581	3.3645	2.5195		1.8431	2.5664	3.1216	4.1346
H7	2.1849	1.0833	2.2263	2.5615	3.0776	1.8431		3.1254	2.4787	3.4208
H8	2.2448	2.2544	1.0838	3.4479	2.5259	2.5664	3.1254		1.8425	3.6367
H9	2.2184	2.2264	1.0838	2.6953	3.1058	3.1216	2.4787	1.8425		2.8555
H10	1.9653	3.2259	2.8505	0.9918	2.4811	4.1346	3.4208	3.6367	2.8555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.118	C1	C2	H6	118.762
C1	C2	H7	114.451	C1	C3	C2	59.127
C1	C3	H8	118.418	C1	C3	H9	116.100
C1	O4	H10	107.506	C2	C1	C3	60.755
C2	C1	O4	114.563	C2	C1	H5	117.153
C2	C3	H8	118.501	C2	C3	H9	116.054
C3	C1	O4	118.860	C3	C1	H5	116.955
C3	C2	H6	118.876	C3	C2	H7	116.083
O4	C1	H5	116.679	H6	C2	H7	116.586
H8	C3	H9	116.423

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBE1PBE/3-21G*

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	-0.029
2	C	-0.454
3	C	-0.479
4	O	-0.560
5	H	0.215
6	H	0.230
7	H	0.256
8	H	0.226
9	H	0.241
10	H	0.353

	x	y	z	Total
	0.354	1.494	0.715	1.694
CHELPG
AIM
ESP

	x	y	z
x	4.919	-0.279	0.194
y	-0.279	4.580	0.021
z	0.194	0.021	4.165

<r²>	73.859
(<r²>)^1/2	8.594

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)