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	hartrees
Energy at 0K	-193.057733
Energy at 298.15K	-193.064732
HF Energy	-193.057733
Nuclear repulsion energy	124.582613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3606	18.73
2	A	3279	3110	13.15
3	A	3263	3094	3.26
4	A	3188	3023	6.65
5	A	3177	3013	14.28
6	A	3144	2982	42.61
7	A	1543	1463	16.66
8	A	1480	1404	2.24
9	A	1448	1373	7.49
10	A	1326	1258	91.12
11	A	1263	1197	50.78
12	A	1217	1154	6.73
13	A	1212	1149	0.28
14	A	1140	1082	0.77
15	A	1083	1027	4.99
16	A	1071	1016	21.20
17	A	1014	961	8.55
18	A	955	906	24.20
19	A	856	812	10.69
20	A	834	791	5.68
21	A	773	733	2.73
22	A	413	392	22.86
23	A	408	386	11.14
24	A	332	315	112.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.014	0.478
C2	0.907	-0.739	-0.135
C3	0.884	0.770	-0.136
O4	-1.456	-0.112	-0.198
H5	-0.316	-0.020	1.566
H6	1.606	-1.253	0.516
H7	0.708	-1.236	-1.078
H8	1.567	1.305	0.516
H9	0.680	1.258	-1.083
H10	-1.909	0.735	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4892	1.5019	1.3946	1.0904	2.2236	2.1940	2.2378	2.2141	1.9190
C2	1.4892		1.5093	2.4455	2.2149	1.0848	1.0844	2.2446	2.2221	3.1791
C3	1.5019	1.5093		2.5011	2.2272	2.2447	2.2238	1.0854	1.0851	2.7937
O4	1.3946	2.4455	2.5011		2.1025	3.3447	2.5919	3.4140	2.6867	0.9658
H5	1.0904	2.2149	2.2272	2.1025		2.5130	3.0847	2.5306	3.1055	2.4264
H6	2.2236	1.0848	2.2447	3.3447	2.5130		1.8297	2.5583	3.1176	4.0855
H7	2.1940	1.0844	2.2238	2.5919	3.0847	1.8297		3.1209	2.4944	3.4192
H8	2.2378	2.2446	1.0854	3.4140	2.5306	2.5583	3.1209		1.8301	3.5763
H9	2.2141	2.2221	1.0851	2.6867	3.1055	3.1176	2.4944	1.8301		2.8181
H10	1.9190	3.1791	2.7937	0.9658	2.4264	4.0855	3.4192	3.5763	2.8181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.112	C1	C2	H6	118.667
C1	C2	H7	116.077	C1	C3	C2	59.282
C1	C3	H8	118.865	C1	C3	H9	116.789
C1	O4	H10	107.390	C2	C1	C3	60.606
C2	C1	O4	115.949	C2	C1	H5	117.487
C2	C3	H8	118.877	C2	C3	H9	116.902
C3	C1	O4	119.378	C3	C1	H5	117.568
C3	C2	H6	118.932	C3	C2	H7	117.106
O4	C1	H5	115.029	H6	C2	H7	115.026
H8	C3	H9	114.948

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: mPW1PW91/6-31G*

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	0.081
2	C	-0.376
3	C	-0.396
4	O	-0.627
5	H	0.162
6	H	0.183
7	H	0.199
8	H	0.179
9	H	0.187
10	H	0.409

	x	y	z	Total
	0.341	1.383	0.652	1.567
CHELPG
AIM
ESP

	x	y	z
x	5.176	-0.201	0.142
y	-0.201	4.906	0.008
z	0.142	0.008	4.523

<r²>	72.730
(<r²>)^1/2	8.528

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)