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	hartrees
Energy at 0K	-270.889299
Energy at 298.15K	-270.901482
HF Energy	-270.013137
Nuclear repulsion energy	254.036204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3577	18.75
2	A	3179	2984	64.39
3	A	3169	2974	14.50
4	A	3156	2963	3.38
5	A	3149	2955	30.59
6	A	3125	2933	26.51
7	A	3116	2924	27.90
8	A	3112	2921	21.36
9	A	3103	2912	24.78
10	A	3038	2851	46.57
11	A	1588	1490	2.38
12	A	1564	1468	5.84
13	A	1560	1465	3.04
14	A	1548	1453	0.86
15	A	1492	1400	3.47
16	A	1438	1349	36.57
17	A	1385	1300	0.26
18	A	1377	1292	0.69
19	A	1366	1282	11.19
20	A	1341	1258	5.70
21	A	1323	1242	21.66
22	A	1299	1219	0.70
23	A	1261	1184	27.79
24	A	1239	1163	0.42
25	A	1230	1155	4.38
26	A	1161	1090	52.80
27	A	1123	1054	33.58
28	A	1094	1027	2.62
29	A	1017	954	1.64
30	A	1005	943	3.17
31	A	989	928	6.01
32	A	932	875	0.11
33	A	914	857	0.16
34	A	847	795	0.65
35	A	788	740	2.05
36	A	640	601	0.39
37	A	553	519	5.34
38	A	488	458	9.16
39	A	365	343	20.01
40	A	304	285	121.22
41	A	187	175	1.19
42	A	39	37	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-2.154	1.246	-0.668
H2	-1.790	1.141	1.047
C3	-1.473	0.793	0.058
H4	-2.096	-1.133	-0.832
H5	-1.942	-1.173	0.916
C6	-1.495	-0.764	0.004
H7	0.250	-1.365	-1.179
H8	0.215	-2.118	0.418
C9	-0.021	-1.202	-0.130
H10	0.266	2.146	0.258
H11	0.203	1.250	-1.270
C12	-0.009	1.187	-0.196
H13	0.770	0.032	1.460
C14	0.783	-0.000	0.357
H15	2.608	0.670	0.217
O16	2.120	-0.098	-0.117

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7568	1.0938	2.3857	2.8990	2.2195	3.5858	4.2559	3.2911	2.7430	2.4320	2.1971	3.8143	3.3510	4.8772	4.5136
H2	1.7568		1.0955	2.9662	2.3226	2.1920	3.9245	3.8785	3.1632	2.4211	3.0584	2.1727	2.8203	2.8983	4.5002	4.2635
C3	1.0938	1.0955		2.2112	2.1951	1.5577	3.0262	3.3846	2.4745	2.2130	2.1869	1.5378	2.7521	2.4102	4.0859	3.7059
H4	2.3857	2.9662	2.2112		1.7549	1.0939	2.3825	2.8062	2.1916	4.1859	3.3401	3.1851	3.8498	3.3145	5.1453	4.3995
H5	2.8990	2.3226	2.1951	1.7549		1.0947	3.0385	2.4080	2.1879	4.0406	3.9051	3.2471	3.0172	3.0192	4.9584	4.3271
C6	2.2195	2.1920	1.5577	1.0939	1.0947		2.1924	2.2206	1.5436	3.4110	2.9262	2.4608	2.8073	2.4285	4.3511	3.6776
H7	3.5858	3.9245	3.0262	2.3825	3.0385	2.1924		1.7663	1.0960	3.7944	2.6176	2.7477	3.0309	2.1234	3.4134	2.4966
H8	4.2559	3.8785	3.3846	2.8062	2.4080	2.2206	1.7663		1.0936	4.2680	3.7680	3.3696	2.4527	2.1939	3.6792	2.8277
C9	3.2911	3.1632	2.4745	2.1916	2.1879	1.5436	1.0960	1.0936		3.3827	2.7135	2.3900	2.1619	1.5257	3.2454	2.4087
H10	2.7430	2.4211	2.2130	4.1859	4.0406	3.4110	3.7944	4.2680	3.3827		1.7726	1.0961	2.4835	2.2099	2.7685	2.9345
H11	2.4320	3.0584	2.1869	3.3401	3.9051	2.9262	2.6176	3.7680	2.7135	1.7726		1.0967	3.0425	2.1327	2.8868	2.6121
C12	2.1971	2.1727	1.5378	3.1851	3.2471	2.4608	2.7477	3.3696	2.3900	1.0961	1.0967		2.1636	1.5305	2.6990	2.4876
H13	3.8143	2.8203	2.7521	3.8498	3.0172	2.8073	3.0309	2.4527	2.1619	2.4835	3.0425	2.1636		1.1029	2.3081	2.0793
C14	3.3510	2.8983	2.4102	3.3145	3.0192	2.4285	2.1234	2.1939	1.5257	2.2099	2.1327	1.5305	1.1029		1.9487	1.4216
H15	4.8772	4.5002	4.0859	5.1453	4.9584	4.3511	3.4134	3.6792	3.2454	2.7685	2.8868	2.6990	2.3081	1.9487		0.9687
O16	4.5136	4.2635	3.7059	4.3995	4.3271	3.6776	2.4966	2.8277	2.4087	2.9345	2.6121	2.4876	2.0793	1.4216	0.9687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.733	H1	C3	C6	112.486
H1	C3	C12	112.107	H2	C3	C6	110.192
H2	C3	C12	110.065	C3	C6	H4	111.816
C3	C6	H5	110.484	C3	C6	C9	105.856
C3	C12	H10	113.262	C3	C12	H11	111.114
C3	C12	C14	103.534	H4	C6	H5	106.612
H4	C6	C9	111.246	H5	C6	C9	110.900
C6	C3	C12	105.300	C6	C9	H7	111.180
C6	C9	H8	113.613	C6	C9	C14	104.595
H7	C9	H8	107.541	H7	C9	C14	107.037
H8	C9	C14	112.729	C9	C14	C12	102.890
C9	C14	H13	109.609	C9	C14	O16	109.573
H10	C12	H11	107.874	H10	C12	C14	113.538
H11	C12	C14	107.383	C12	C14	H13	109.417
C12	C14	O16	114.794	H13	C14	O16	110.264
C14	O16	H15	107.716

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)