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	hartrees
Energy at 0K	-271.637357
Energy at 298.15K	-271.649192
Nuclear repulsion energy	251.213688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3627	3.87
2	A	3036	3013	90.06
3	A	3028	3004	26.56
4	A	3018	2994	9.92
5	A	3005	2982	21.28
6	A	2989	2966	44.14
7	A	2975	2952	42.80
8	A	2971	2948	5.53
9	A	2969	2946	41.75
10	A	2879	2857	58.26
11	A	1496	1484	1.18
12	A	1474	1462	2.58
13	A	1471	1460	0.71
14	A	1463	1451	0.22
15	A	1397	1386	3.59
16	A	1337	1326	28.58
17	A	1303	1293	0.03
18	A	1296	1286	0.05
19	A	1283	1273	5.63
20	A	1260	1250	12.33
21	A	1256	1247	4.24
22	A	1218	1209	11.43
23	A	1187	1178	13.64
24	A	1169	1160	1.04
25	A	1154	1145	1.73
26	A	1048	1040	49.34
27	A	1026	1018	50.11
28	A	1004	996	8.94
29	A	963	956	1.13
30	A	946	938	1.99
31	A	920	913	5.24
32	A	861	855	0.12
33	A	844	838	0.31
34	A	794	788	0.11
35	A	750	745	2.01
36	A	603	599	0.51
37	A	520	516	4.42
38	A	456	453	7.53
39	A	345	342	15.94
40	A	288	285	98.37
41	A	175	173	0.70
42	A	27	27	0.37

Atom	x (Å)	y (Å)	z (Å)
H1	-2.038	1.111	-0.958
H2	-2.035	1.252	0.801
C3	-1.508	0.789	-0.049
H4	-2.207	-1.267	-0.596
H5	-1.790	-1.070	1.110
C6	-1.496	-0.778	0.088
H7	0.168	-1.282	-1.265
H8	0.241	-2.167	0.277
C9	-0.030	-1.204	-0.182
H10	0.206	2.119	0.504
H11	0.303	1.442	-1.137
C12	-0.006	1.222	-0.101
H13	0.808	-0.068	1.475
C14	0.799	-0.025	0.364
H15	2.633	0.659	0.238
O16	2.144	-0.094	-0.147

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7646	1.1012	2.4110	3.0159	2.2263	3.2688	4.1794	3.1615	2.8615	2.3713	2.2083	3.9258	3.3297	4.8431	4.4267
H2	1.7646		1.1014	2.8848	2.3546	2.2177	3.9418	4.1405	3.3190	2.4204	3.0425	2.2204	3.2063	3.1383	4.7392	4.4907
C3	1.1012	1.1014		2.2394	2.2084	1.5731	2.9284	3.4503	2.4847	2.2380	2.2112	1.5636	2.9016	2.4804	4.1529	3.7576
H4	2.4110	2.8848	2.2394		1.7676	1.1009	2.4679	2.7508	2.2174	4.3003	3.7323	3.3590	3.8492	3.3914	5.2757	4.5282
H5	3.0159	2.3546	2.2084	1.7676		1.1031	3.0857	2.4544	2.1875	3.8096	3.9670	3.1464	2.8080	2.8896	4.8284	4.2429
C6	2.2263	2.2177	1.5731	1.1009	1.1031		2.2030	2.2323	1.5504	3.3852	3.1088	2.5010	2.7815	2.4312	4.3747	3.7105
H7	3.2688	3.9418	2.9284	2.4679	3.0857	2.2030		1.7801	1.1041	3.8333	2.7295	2.7663	3.0641	2.1525	3.4786	2.5618
H8	4.1794	4.1405	3.4503	2.7508	2.4544	2.2323	1.7801		1.1009	4.2924	3.8767	3.4192	2.4824	2.2160	3.7031	2.8457
C9	3.1615	3.3190	2.4847	2.2174	2.1875	1.5504	1.1041	1.1009		3.4009	2.8324	2.4272	2.1762	1.5414	3.2769	2.4404
H10	2.8615	2.4204	2.2380	4.3003	3.8096	3.3852	3.8333	4.2924	3.4009		1.7781	1.1026	2.4676	2.2284	2.8455	3.0127
H11	2.3713	3.0425	2.2112	3.7323	3.9670	3.1088	2.7295	3.8767	2.8324	1.7781		1.1032	3.0588	2.1562	2.8162	2.5933
C12	2.2083	2.2204	1.5636	3.3590	3.1464	2.5010	2.7663	3.4192	2.4272	1.1026	1.1032		2.1933	1.5549	2.7198	2.5206
H13	3.9258	3.2063	2.9016	3.8492	2.8080	2.7815	3.0641	2.4824	2.1762	2.4676	3.0588	2.1933		1.1113	2.3218	2.1006
C14	3.3297	3.1383	2.4804	3.3914	2.8896	2.4312	2.1525	2.2160	1.5414	2.2284	2.1562	1.5549	1.1113		1.9617	1.4401
H15	4.8431	4.7392	4.1529	5.2757	4.8284	4.3747	3.4786	3.7031	3.2769	2.8455	2.8162	2.7198	2.3218	1.9617		0.9770
O16	4.4267	4.4907	3.7576	4.5282	4.2429	3.7105	2.5618	2.8457	2.4404	3.0127	2.5933	2.5206	2.1006	1.4401	0.9770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.478	H1	C3	C6	111.494
H1	C3	C12	110.733	H2	C3	C6	110.801
H2	C3	C12	111.670	C3	C6	H4	112.549
C3	C6	H5	109.976	C3	C6	C9	105.401
C3	C12	H10	113.009	C3	C12	H11	110.844
C3	C12	C14	105.381	H4	C6	H5	106.637
H4	C6	C9	112.402	H5	C6	C9	109.905
C6	C3	C12	105.754	C6	C9	H7	111.061
C6	C9	H8	113.609	C6	C9	C14	103.687
H7	C9	H8	107.659	H7	C9	C14	107.761
H8	C9	C14	112.945	C9	C14	C12	103.240
C9	C14	H13	109.167	C9	C14	O16	109.833
H10	C12	H11	107.437	H10	C12	C14	112.862
H11	C12	C14	107.199	C12	C14	H13	109.574
C12	C14	O16	114.568	H13	C14	O16	110.170
C14	O16	H15	106.942

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: BLYP/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	H	0.085
2	H	0.081
3	C	-0.162
4	H	0.079
5	H	0.083
6	C	-0.162
7	H	0.091
8	H	0.080
9	C	-0.158
10	H	0.067
11	H	0.090
12	C	-0.174
13	H	0.054
14	C	0.175
15	H	0.286
16	O	-0.515

	x	y	z	Total
	-0.501	1.052	0.839	1.436
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	169.364
(<r²>)^1/2	13.014

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)