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	hartrees
Energy at 0K	-36.440690
Energy at 298.15K	-36.447604
HF Energy	-36.440690
Nuclear repulsion energy	68.678658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3544	4.09
2	A	3221	3138	30.62
3	A	3201	3119	5.49
4	A	3114	3035	14.53
5	A	3099	3020	32.20
6	A	3094	3016	32.71
7	A	1496	1458	10.86
8	A	1462	1424	3.82
9	A	1397	1361	8.30
10	A	1266	1234	36.05
11	A	1198	1167	80.23
12	A	1192	1162	1.44
13	A	1165	1135	9.67
14	A	1120	1092	1.17
15	A	1087	1059	3.01
16	A	1063	1036	28.32
17	A	952	928	15.48
18	A	919	896	30.84
19	A	832	811	14.83
20	A	804	783	7.08
21	A	747	728	9.52
22	A	392	382	9.69
23	A	390	380	21.31
24	A	307	299	157.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	-0.008	0.501
C2	0.921	-0.763	-0.138
C3	0.914	0.787	-0.144
O4	-1.491	-0.108	-0.206
H5	-0.327	-0.009	1.588
H6	1.624	-1.281	0.509
H7	0.701	-1.260	-1.078
H8	1.608	1.316	0.506
H9	0.703	1.274	-1.093
H10	-2.002	0.723	-0.095

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5189	1.5370	1.4478	1.0911	2.2503	2.2203	2.2669	2.2489	2.0056
C2	1.5189		1.5503	2.5011	2.2592	1.0867	1.0862	2.2823	2.2600	3.2794
C3	1.5370	1.5503		2.5676	2.2744	2.2824	2.2603	1.0876	1.0872	2.9172
O4	1.4478	2.5011	2.5676		2.1410	3.4049	2.6258	3.4843	2.7405	0.9811
H5	1.0911	2.2592	2.2744	2.1410		2.5664	3.1191	2.5826	3.1452	2.4846
H6	2.2503	1.0867	2.2824	3.4049	2.5664		1.8365	2.5976	3.1532	4.1865
H7	2.2203	1.0862	2.2603	2.6258	3.1191	1.8365		3.1571	2.5332	3.4932
H8	2.2669	2.2823	1.0876	3.4843	2.5826	2.5976	3.1571		1.8376	3.7072
H9	2.2489	2.2600	1.0872	2.7405	3.1452	3.1532	2.5332	1.8376		2.9352
H10	2.0056	3.2794	2.9172	0.9811	2.4846	4.1865	3.4932	3.7072	2.9352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.090	C1	C2	H6	118.507
C1	C2	H7	115.928	C1	C3	C2	58.943
C1	C3	H8	118.475	C1	C3	H9	116.924
C1	O4	H10	109.829	C2	C1	C3	60.967
C2	C1	O4	114.904	C2	C1	H5	118.990
C2	C3	H8	118.756	C2	C3	H9	116.840
C3	C1	O4	118.653	C3	C1	H5	118.888
C3	C2	H6	118.834	C3	C2	H7	116.933
O4	C1	H5	114.243	H6	C2	H7	115.385
H8	C3	H9	115.336

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/CEP-121G

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	0.021
2	C	-0.308
3	C	-0.342
4	O	-0.453
5	H	0.140
6	H	0.150
7	H	0.166
8	H	0.143
9	H	0.154
10	H	0.330

	x	y	z	Total
	0.578	1.565	0.915	1.903
CHELPG
AIM
ESP

	x	y	z
x	5.935	-0.226	0.104
y	-0.226	5.586	0.020
z	0.104	0.020	5.027

<r²>	64.880
(<r²>)^1/2	8.055

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)