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	hartrees
Energy at 0K	-193.164679
Energy at 298.15K	-193.171651
HF Energy	-193.164679
Nuclear repulsion energy	124.208737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3814	3688	22.89
2	A	3222	3115	17.48
3	A	3205	3099	3.06
4	A	3131	3027	7.92
5	A	3121	3018	16.64
6	A	3093	2991	40.60
7	A	1505	1455	14.76
8	A	1453	1405	3.36
9	A	1414	1367	4.60
10	A	1302	1258	76.50
11	A	1226	1185	57.56
12	A	1194	1154	0.19
13	A	1187	1147	8.97
14	A	1122	1085	0.89
15	A	1066	1031	2.25
16	A	1044	1010	25.66
17	A	984	951	14.61
18	A	928	897	23.50
19	A	835	807	9.63
20	A	816	789	6.57
21	A	759	734	4.69
22	A	410	396	12.38
23	A	405	391	15.27
24	A	325	315	110.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.012	0.482
C2	0.908	-0.744	-0.134
C3	0.890	0.773	-0.138
O4	-1.461	-0.110	-0.200
H5	-0.316	-0.014	1.568
H6	1.608	-1.259	0.513
H7	0.699	-1.240	-1.074
H8	1.576	1.305	0.510
H9	0.682	1.256	-1.086
H10	-1.925	0.726	-0.090

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4928	1.5070	1.4042	1.0889	2.2273	2.1926	2.2410	2.2158	1.9289
C2	1.4928		1.5177	2.4532	2.2201	1.0831	1.0829	2.2501	2.2270	3.1927
C3	1.5070	1.5177		2.5116	2.2328	2.2513	2.2279	1.0838	1.0834	2.8160
O4	1.4042	2.4532	2.5116		2.1086	3.3534	2.5898	3.4245	2.6909	0.9628
H5	1.0889	2.2201	2.2328	2.1086		2.5224	3.0846	2.5373	3.1067	2.4261
H6	2.2273	1.0831	2.2513	3.3534	2.5224		1.8291	2.5642	3.1206	4.0972
H7	2.1926	1.0829	2.2279	2.5898	3.0846	1.8291		3.1235	2.4960	3.4240
H8	2.2410	2.2501	1.0838	3.4245	2.5373	2.5642	3.1235		1.8299	3.5991
H9	2.2158	2.2270	1.0834	2.6909	3.1067	3.1206	2.4960	1.8299		2.8411
H10	1.9289	3.1927	2.8160	0.9628	2.4261	4.0972	3.4240	3.5991	2.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.069	C1	C2	H6	118.825
C1	C2	H7	115.790	C1	C3	C2	59.145
C1	C3	H8	118.853	C1	C3	H9	116.657
C1	O4	H10	107.697	C2	C1	C3	60.786
C2	C1	O4	115.696	C2	C1	H5	117.770
C2	C3	H8	118.797	C2	C3	H9	116.787
C3	C1	O4	119.210	C3	C1	H5	117.765
C3	C2	H6	118.954	C3	C2	H7	116.904
O4	C1	H5	114.927	H6	C2	H7	115.229
H8	C3	H9	115.201

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/6-311G**

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	0.027
2	C	-0.236
3	C	-0.251
4	O	-0.380
5	H	0.109
6	H	0.122
7	H	0.134
8	H	0.115
9	H	0.123
10	H	0.235

	x	y	z	Total
	0.316	1.312	0.713	1.526
CHELPG
AIM
ESP

	x	y	z
x	5.702	-0.197	0.047
y	-0.197	5.407	0.003
z	0.047	0.003	4.960

<r²>	73.479
(<r²>)^1/2	8.572

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)