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	hartrees
Energy at 0K	-271.033955
Energy at 298.15K	-271.046108
HF Energy	-270.086481
Nuclear repulsion energy	254.484926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3697	28.40
2	A	3166	3008	64.49
3	A	3156	2999	17.79
4	A	3146	2990	5.89
5	A	3134	2978	13.74
6	A	3102	2948	35.32
7	A	3089	2935	34.33
8	A	3087	2933	17.60
9	A	3081	2928	26.01
10	A	3019	2869	46.09
11	A	1537	1460	3.20
12	A	1513	1438	4.92
13	A	1511	1436	4.77
14	A	1498	1423	0.39
15	A	1456	1383	1.72
16	A	1395	1325	32.08
17	A	1355	1288	0.38
18	A	1344	1277	3.68
19	A	1327	1261	2.08
20	A	1316	1250	19.29
21	A	1299	1235	5.44
22	A	1263	1200	13.97
23	A	1241	1179	14.12
24	A	1216	1155	0.99
25	A	1202	1143	0.25
26	A	1138	1081	56.36
27	A	1100	1045	38.61
28	A	1074	1021	0.80
29	A	1003	953	1.11
30	A	988	939	3.69
31	A	964	916	4.31
32	A	920	874	0.23
33	A	903	858	0.28
34	A	832	791	0.17
35	A	776	737	1.47
36	A	612	581	0.14
37	A	545	518	5.16
38	A	476	452	7.60
39	A	364	346	21.27
40	A	298	283	100.92
41	A	195	186	0.99
42	A	38	36	0.83

Atom	x (Å)	y (Å)	z (Å)
H1	-2.007	1.084	-0.961
H2	-2.004	1.258	0.788
C3	-1.485	0.783	-0.049
H4	-2.214	-1.255	-0.527
H5	-1.708	-1.033	1.147
C6	-1.474	-0.764	0.111
H7	0.132	-1.208	-1.296
H8	0.243	-2.156	0.203
C9	-0.036	-1.184	-0.213
H10	0.224	2.093	0.488
H11	0.312	1.401	-1.141
C12	0.004	1.201	-0.109
H13	0.762	-0.093	1.457
C14	0.784	-0.035	0.356
H15	2.566	0.682	0.219
O16	2.118	-0.097	-0.120

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7581	1.0935	2.3880	3.0023	2.2018	3.1520	4.1124	3.0963	2.8451	2.3470	2.1869	3.8601	3.2823	4.7395	4.3724
H2	1.7581		1.0937	2.8447	2.3380	2.1978	3.8714	4.1291	3.2926	2.3980	3.0175	2.1996	3.1507	3.1034	4.6413	4.4336
C3	1.0935	1.0937		2.2167	2.1854	1.5552	2.8516	3.4183	2.4484	2.2190	2.1917	1.5474	2.8432	2.4452	4.0609	3.7097
H4	2.3880	2.8447	2.2167		1.7629	1.0931	2.4689	2.7164	2.2015	4.2640	3.7164	3.3357	3.7608	3.3547	5.2109	4.5024
H5	3.0023	2.3380	2.1854	1.7629		1.0954	3.0634	2.4409	2.1604	3.7329	3.9035	3.0817	2.6608	2.7980	4.6974	4.1375
C6	2.2018	2.1978	1.5552	1.0931	1.0954		2.1810	2.2123	1.5331	3.3449	3.0735	2.4690	2.6953	2.3856	4.2926	3.6612
H7	3.1520	3.8714	2.8516	2.4689	3.0634	2.1810		1.7776	1.0967	3.7528	2.6194	2.6888	3.0366	2.1286	3.4336	2.5615
H8	4.1124	4.1291	3.4183	2.7164	2.4409	2.2123	1.7776		1.0933	4.2583	3.8031	3.3802	2.4694	2.1943	3.6674	2.8033
C9	3.0963	3.2926	2.4484	2.2015	2.1604	1.5331	1.0967	1.0933		3.3609	2.7686	2.3880	2.1484	1.5219	3.2306	2.4144
H10	2.8451	2.3980	2.2190	4.2640	3.7329	3.3449	3.7528	4.2583	3.3609		1.7719	1.0950	2.4508	2.2039	2.7473	2.9588
H11	2.3470	3.0175	2.1917	3.7164	3.9035	3.0735	2.6194	3.8031	2.7686	1.7719		1.0957	3.0308	2.1275	2.7290	2.5595
C12	2.1869	2.1996	1.5474	3.3357	3.0817	2.4690	2.6888	3.3802	2.3880	1.0950	1.0957		2.1685	1.5339	2.6349	2.4816
H13	3.8601	3.1507	2.8432	3.7608	2.6608	2.6953	3.0366	2.4694	2.1484	2.4508	3.0308	2.1685		1.1027	2.3210	2.0800
C14	3.2823	3.1034	2.4452	3.3547	2.7980	2.3856	2.1286	2.1943	1.5219	2.2039	2.1275	1.5339	1.1027		1.9258	1.4183
H15	4.7395	4.6413	4.0609	5.2109	4.6974	4.2926	3.4336	3.6674	3.2306	2.7473	2.7290	2.6349	2.3210	1.9258		0.9605
O16	4.3724	4.4336	3.7097	4.5024	4.1375	3.6612	2.5615	2.8033	2.4144	2.9588	2.5595	2.4816	2.0800	1.4183	0.9605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.994	H1	C3	C6	111.263
H1	C3	C12	110.630	H2	C3	C6	110.930
H2	C3	C12	111.636	C3	C6	H4	112.484
C3	C6	H5	109.850	C3	C6	C9	104.894
C3	C12	H10	113.119	C3	C12	H11	110.875
C3	C12	C14	105.040	H4	C6	H5	107.320
H4	C6	C9	112.849	H5	C6	C9	109.424
C6	C3	C12	105.459	C6	C9	H7	110.981
C6	C9	H8	113.728	C6	C9	C14	102.685
H7	C9	H8	108.525	H7	C9	C14	107.648
H8	C9	C14	113.064	C9	C14	C12	102.789
C9	C14	H13	108.838	C9	C14	O16	110.356
H10	C12	H11	107.962	H10	C12	C14	112.866
H11	C12	C14	106.821	C12	C14	H13	109.581
C12	C14	O16	114.351	H13	C14	O16	110.569
C14	O16	H15	106.515

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/6-311G**

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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All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)