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	hartrees
Energy at 0K	-191.753139
Energy at 298.15K	-191.760097
HF Energy	-191.623641
Nuclear repulsion energy	122.901112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3482	3482	0.53
2	A	3301	3301	8.59
3	A	3284	3284	1.99
4	A	3203	3203	3.93
5	A	3193	3193	8.59
6	A	3165	3165	35.52
7	A	1538	1538	6.15
8	A	1516	1516	4.94
9	A	1451	1451	2.93
10	A	1318	1318	60.80
11	A	1227	1227	0.36
12	A	1194	1194	4.89
13	A	1182	1182	58.42
14	A	1172	1172	0.90
15	A	1118	1118	4.29
16	A	1092	1092	28.97
17	A	963	963	11.18
18	A	917	917	22.71
19	A	841	841	9.95
20	A	816	816	3.48
21	A	763	763	5.74
22	A	396	396	25.44
23	A	375	375	12.87
24	A	341	341	121.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	-0.003	0.499
C2	0.909	-0.757	-0.137
C3	0.906	0.777	-0.149
O4	-1.480	-0.111	-0.200
H5	-0.282	0.005	1.583
H6	1.613	-1.273	0.501
H7	0.663	-1.242	-1.071
H8	1.603	1.300	0.492
H9	0.683	1.247	-1.097
H10	-1.956	0.754	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5064	1.5224	1.4365	1.0856	2.2375	2.1902	2.2484	2.2227	1.9758
C2	1.5064		1.5346	2.4750	2.2266	1.0807	1.0808	2.2604	2.2336	3.2392
C3	1.5224	1.5346		2.5464	2.2380	2.2633	2.2333	1.0813	1.0813	2.8628
O4	1.4365	2.4750	2.5464		2.1513	3.3769	2.5743	3.4602	2.7065	0.9935
H5	1.0856	2.2266	2.2380	2.1513		2.5285	3.0809	2.5344	3.1076	2.4845
H6	2.2375	1.0807	2.2633	3.3769	2.5285		1.8370	2.5723	3.1247	4.1467
H7	2.1902	1.0808	2.2333	2.5743	3.0809	1.8370		3.1286	2.4891	3.4349
H8	2.2484	2.2604	1.0813	3.4602	2.5344	2.5723	3.1286		1.8367	3.6478
H9	2.2227	2.2336	1.0813	2.7065	3.1076	3.1247	2.4891	1.8367		2.8661
H10	1.9758	3.2392	2.8628	0.9935	2.4845	4.1467	3.4349	3.6478	2.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.072	C1	C2	H6	118.812
C1	C2	H7	114.682	C1	C3	C2	59.045
C1	C3	H8	118.452	C1	C3	H9	116.201
C1	O4	H10	107.394	C2	C1	C3	60.883
C2	C1	O4	114.475	C2	C1	H5	117.492
C2	C3	H8	118.536	C2	C3	H9	116.187
C3	C1	O4	118.742	C3	C1	H5	117.236
C3	C2	H6	118.830	C3	C2	H7	116.201
O4	C1	H5	116.386	H6	C2	H7	116.396
H8	C3	H9	116.270

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP/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	0.008
2	C	-0.401
3	C	-0.426
4	O	-0.554
5	H	0.188
6	H	0.203
7	H	0.228
8	H	0.199
9	H	0.214
10	H	0.341

	x	y	z	Total
	0.381	1.478	0.729	1.692
CHELPG
AIM
ESP

	x	y	z
x	4.910	-0.288	0.208
y	-0.288	4.562	0.022
z	0.208	0.022	4.140

<r²>	74.528
(<r²>)^1/2	8.633

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)