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	hartrees
Energy at 0K	-269.091562
Energy at 298.15K	-269.103629
HF Energy	-268.520281
Nuclear repulsion energy	250.903000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3501	3330	0.78
2	A	3179	3024	51.71
3	A	3167	3012	11.26
4	A	3154	3001	3.63
5	A	3143	2990	15.08
6	A	3118	2966	14.92
7	A	3111	2959	29.61
8	A	3104	2953	20.33
9	A	3095	2944	18.28
10	A	3039	2891	42.97
11	A	1607	1529	1.86
12	A	1590	1513	6.97
13	A	1585	1508	2.91
14	A	1576	1499	1.49
15	A	1472	1401	2.73
16	A	1427	1358	13.25
17	A	1384	1317	0.29
18	A	1377	1310	1.23
19	A	1373	1306	7.05
20	A	1351	1286	0.71
21	A	1331	1266	16.56
22	A	1302	1239	2.64
23	A	1252	1191	19.89
24	A	1238	1178	2.16
25	A	1225	1165	13.98
26	A	1093	1040	9.39
27	A	1066	1014	43.85
28	A	1046	995	16.79
29	A	1015	965	1.04
30	A	993	945	5.85
31	A	947	901	10.41
32	A	896	852	0.20
33	A	862	820	0.32
34	A	842	801	1.01
35	A	786	748	3.57
36	A	645	614	0.59
37	A	546	519	1.90
38	A	462	439	11.99
39	A	341	324	38.21
40	A	315	300	109.94
41	A	173	164	1.54
42	A	27	25	0.35

Atom	x (Å)	y (Å)	z (Å)
H1	-2.151	1.214	-0.748
H2	-1.865	1.158	1.000
C3	-1.506	0.797	0.030
H4	-2.114	-1.176	-0.812
H5	-1.924	-1.171	0.949
C6	-1.509	-0.787	0.012
H7	0.263	-1.330	-1.186
H8	0.228	-2.132	0.404
C9	-0.012	-1.210	-0.133
H10	0.231	2.160	0.310
H11	0.227	1.274	-1.240
C12	-0.016	1.208	-0.173
H13	0.766	0.026	1.486
C14	0.786	0.005	0.385
H15	2.658	0.684	0.211
O16	2.154	-0.098	-0.137

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7726	1.0936	2.3911	2.9361	2.2344	3.5346	4.2639	3.2909	2.7734	2.4293	2.2112	3.8612	3.3719	4.9326	4.5412
H2	1.7726		1.0951	2.9656	2.3304	2.2105	3.9370	3.9444	3.2131	2.4236	3.0673	2.1904	2.9047	2.9553	4.6160	4.3609
C3	1.0936	1.0951		2.2298	2.2115	1.5839	3.0226	3.4241	2.5074	2.2262	2.2015	1.5595	2.8060	2.4507	4.1701	3.7713
H4	2.3911	2.9656	2.2298		1.7714	1.0937	2.4116	2.8065	2.2095	4.2297	3.4157	3.2398	3.8751	3.3521	5.2233	4.4534
H5	2.9361	2.3304	2.2115	1.7714		1.0948	3.0606	2.4185	2.1969	4.0184	3.9237	3.2497	2.9921	3.0071	4.9982	4.3540
C6	2.2344	2.2105	1.5839	1.0937	1.0948		2.2070	2.2315	1.5624	3.4353	2.9710	2.4988	2.8296	2.4561	4.4238	3.7299
H7	3.5346	3.9370	3.0226	2.4116	3.0606	2.2070		1.7810	1.0955	3.7975	2.6047	2.7473	3.0379	2.1269	3.4271	2.4887
H8	4.2639	3.9444	3.4241	2.8065	2.4185	2.2315	1.7810		1.0933	4.2928	3.7817	3.3985	2.4729	2.2088	3.7250	2.8533
C9	3.2909	3.2131	2.5074	2.2095	2.1969	1.5624	1.0955	1.0933		3.4075	2.7299	2.4186	2.1794	1.5428	3.2918	2.4346
H10	2.7734	2.4236	2.2262	4.2297	4.0184	3.4353	3.7975	4.2928	3.4075		1.7857	1.0957	2.4942	2.2261	2.8421	2.9983
H11	2.4293	3.0673	2.2015	3.4157	3.9237	2.9710	2.6047	3.7817	2.7299	1.7857		1.0961	3.0457	2.1357	2.8918	2.6090
C12	2.2112	2.1904	1.5595	3.2398	3.2497	2.4988	2.7473	3.3985	2.4186	1.0957	1.0961		2.1819	1.5497	2.7521	2.5323
H13	3.8612	2.9047	2.8060	3.8751	2.9921	2.8296	3.0379	2.4729	2.1794	2.4942	3.0457	2.1819		1.1012	2.3752	2.1389
C14	3.3719	2.9553	2.4507	3.3521	3.0071	2.4561	2.1269	2.2088	1.5428	2.2261	2.1357	1.5497	1.1012		1.9995	1.4676
H15	4.9326	4.6160	4.1701	5.2233	4.9982	4.4238	3.4271	3.7250	3.2918	2.8421	2.8918	2.7521	2.3752	1.9995		0.9932
O16	4.5412	4.3609	3.7713	4.4534	4.3540	3.7299	2.4887	2.8533	2.4346	2.9983	2.6090	2.5323	2.1389	1.4676	0.9932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	108.167	H1	C3	C6	111.824
H1	C3	C12	111.705	H2	C3	C6	109.865
H2	C3	C12	109.970	C3	C6	H4	111.460
C3	C6	H5	109.959	C3	C6	C9	105.681
C3	C12	H10	112.781	C3	C12	H11	110.784
C3	C12	C14	104.036	H4	C6	H5	108.085
H4	C6	C9	111.362	H5	C6	C9	110.300
C6	C3	C12	105.296	C6	C9	H7	111.053
C6	C9	H8	113.150	C6	C9	C14	104.548
H7	C9	H8	108.919	H7	C9	C14	106.203
H8	C9	C14	112.723	C9	C14	C12	102.900
C9	C14	H13	109.910	C9	C14	O16	107.917
H10	C12	H11	109.124	H10	C12	C14	113.490
H11	C12	C14	106.382	C12	C14	H13	109.629
C12	C14	O16	114.095	H13	C14	O16	111.953
C14	O16	H15	107.110

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)