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	hartrees
Energy at 0K	-271.065465
Energy at 298.15K	-271.077635
HF Energy	-270.067324
Nuclear repulsion energy	254.787658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3637	18.58
2	A	3171	3004	59.08
3	A	3157	2990	13.35
4	A	3146	2979	9.51
5	A	3138	2972	26.56
6	A	3109	2944	29.25
7	A	3099	2935	31.31
8	A	3090	2927	24.29
9	A	3081	2918	28.52
10	A	3025	2865	48.63
11	A	1563	1480	4.24
12	A	1538	1457	9.04
13	A	1533	1452	2.92
14	A	1524	1443	3.25
15	A	1467	1389	2.43
16	A	1410	1336	33.23
17	A	1368	1295	0.00
18	A	1349	1277	11.81
19	A	1343	1272	5.30
20	A	1322	1252	6.63
21	A	1301	1233	13.95
22	A	1289	1221	9.90
23	A	1234	1169	19.56
24	A	1227	1162	6.65
25	A	1217	1153	4.26
26	A	1142	1082	45.32
27	A	1116	1057	39.88
28	A	1079	1022	5.57
29	A	1014	961	0.69
30	A	993	940	11.33
31	A	974	923	4.71
32	A	925	876	0.35
33	A	908	860	0.04
34	A	839	794	1.77
35	A	785	743	1.54
36	A	617	585	0.75
37	A	549	520	5.89
38	A	480	455	8.84
39	A	369	350	27.59
40	A	294	278	122.85
41	A	201	190	0.53
42	A	37	35	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	2.203	-1.300	-0.499
H2	1.673	-1.041	1.158
C3	1.460	-0.784	0.115
H4	1.967	1.016	-1.023
H5	2.077	1.236	0.713
C6	1.493	0.753	-0.074
H7	-0.326	1.486	-1.060
H8	-0.168	2.063	0.597
C9	0.017	1.209	-0.058
H10	-0.269	-2.155	0.173
H11	-0.140	-1.186	-1.309
C12	0.023	-1.177	-0.225
H13	-0.793	-0.109	1.456
C14	-0.784	-0.020	0.358
H15	-2.601	-0.675	0.158
O16	-2.109	0.098	-0.133

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7587	1.0928	2.3870	2.8142	2.2137	3.8039	4.2588	3.3571	2.7005	2.4811	2.2008	3.7707	3.3609	4.8889	4.5474
H2	1.7587		1.0951	3.0124	2.3549	2.1834	3.9113	3.6526	3.0471	2.4467	3.0648	2.1578	2.6536	2.7790	4.4052	4.1557
C3	1.0928	1.0951		2.1896	2.1960	1.5494	3.1183	3.3158	2.4674	2.2076	2.1789	1.5286	2.7082	2.3836	4.0632	3.6850
H4	2.3870	3.0124	2.1896		1.7537	1.0929	2.3402	2.8772	2.1841	4.0604	3.0606	3.0378	3.8769	3.2477	5.0120	4.2715
H5	2.8142	2.3549	2.1960	1.7537		1.0928	2.9970	2.3961	2.2006	4.1593	3.8562	3.3057	3.2563	3.1455	5.0844	4.4204
C6	2.2137	2.1834	1.5494	1.0929	1.0928		2.1951	2.2199	1.5455	3.4094	2.8196	2.4314	2.8832	2.4435	4.3425	3.6619
H7	3.8039	3.9113	3.1183	2.3402	2.9970	2.1951		1.7617	1.0942	3.8441	2.6893	2.8124	3.0154	2.1181	3.3658	2.4423
H8	4.2588	3.6526	3.3158	2.8772	2.3961	2.2199	1.7617		1.0924	4.2407	3.7668	3.3485	2.4182	2.1854	3.6890	2.8572
C9	3.3571	3.0471	2.4674	2.1841	2.2006	1.5455	1.0942	1.0924		3.3840	2.7061	2.3920	2.1649	1.5247	3.2325	2.3999
H10	2.7005	2.4467	2.2076	4.0604	4.1593	3.4094	3.8441	4.2407	3.3840		1.7753	1.0952	2.4713	2.2041	2.7620	2.9244
H11	2.4811	3.0648	2.1789	3.0606	3.8562	2.8196	2.6893	3.7668	2.7061	1.7753		1.0960	3.0384	2.1334	2.9106	2.6280
C12	2.2008	2.1578	1.5286	3.0378	3.3057	2.4314	2.8124	3.3485	2.3920	1.0952	1.0960		2.1524	1.5264	2.6988	2.4854
H13	3.7707	2.6536	2.7082	3.8769	3.2563	2.8832	3.0154	2.4182	2.1649	2.4713	3.0384	2.1524		1.1023	2.2966	2.0739
C14	3.3609	2.7790	2.3836	3.2477	3.1455	2.4435	2.1181	2.1854	1.5247	2.2041	2.1334	1.5264	1.1023		1.9417	1.4177
H15	4.8889	4.4052	4.0632	5.0120	5.0844	4.3425	3.3658	3.6890	3.2325	2.7620	2.9106	2.6988	2.2966	1.9417		0.9611
O16	4.5474	4.1557	3.6850	4.2715	4.4204	3.6619	2.4423	2.8572	2.3999	2.9244	2.6280	2.4854	2.0739	1.4177	0.9611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	107.002	H1	C3	C6	112.680
H1	C3	C12	113.132	H2	C3	C6	110.124
H2	C3	C12	109.552	C3	C6	H4	110.742
C3	C6	H5	111.255	C3	C6	C9	105.736
C3	C12	H10	113.537	C3	C12	H11	111.167
C3	C12	C14	102.564	H4	C6	H5	106.708
H4	C6	C9	110.572	H5	C6	C9	111.898
C6	C3	C12	104.354	C6	C9	H7	111.370
C6	C9	H8	113.494	C6	C9	C14	105.476
H7	C9	H8	107.360	H7	C9	C14	106.802
H8	C9	C14	112.193	C9	C14	C12	103.258
C9	C14	H13	109.959	C9	C14	O16	109.245
H10	C12	H11	108.228	H10	C12	C14	113.415
H11	C12	C14	107.761	C12	C14	H13	108.869
C12	C14	O16	115.122	H13	C14	O16	110.140
C14	O16	H15	107.875

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

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

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)