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	hartrees
Energy at 0K	-50.163445
Energy at 298.15K	-50.175363
Nuclear repulsion energy	139.701938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3573	3.85
2	A	3134	3035	179.85
3	A	3117	3019	49.87
4	A	3102	3004	6.43
5	A	3079	2982	23.39
6	A	3065	2969	13.09
7	A	3059	2962	88.22
8	A	3046	2950	96.59
9	A	3040	2944	8.93
10	A	3006	2911	62.95
11	A	1528	1480	2.97
12	A	1510	1462	7.73
13	A	1508	1461	7.68
14	A	1499	1452	1.00
15	A	1408	1363	3.58
16	A	1358	1315	15.85
17	A	1340	1297	2.21
18	A	1328	1286	3.88
19	A	1316	1275	3.36
20	A	1300	1259	0.33
21	A	1280	1239	7.62
22	A	1242	1202	7.57
23	A	1217	1179	19.84
24	A	1186	1148	5.76
25	A	1171	1134	4.53
26	A	1082	1048	2.31
27	A	1069	1035	27.10
28	A	1030	997	78.78
29	A	981	950	3.70
30	A	970	940	2.78
31	A	945	915	11.81
32	A	897	868	2.06
33	A	865	838	0.54
34	A	812	786	0.14
35	A	766	742	7.92
36	A	623	603	1.04
37	A	528	511	5.23
38	A	453	439	9.61
39	A	339	328	21.95
40	A	287	278	155.33
41	A	166	160	1.79
42	A	34	33	0.68

Atom	x (Å)	y (Å)	z (Å)
H1	-2.050	1.148	-0.946
H2	-2.025	1.265	0.822
C3	-1.515	0.807	-0.044
H4	-2.218	-1.234	-0.650
H5	-1.858	-1.076	1.081
C6	-1.526	-0.771	0.072
H7	0.172	-1.317	-1.245
H8	0.201	-2.173	0.321
C9	-0.048	-1.218	-0.167
H10	0.216	2.124	0.500
H11	0.308	1.429	-1.142
C12	0.000	1.224	-0.101
H13	0.828	-0.069	1.488
C14	0.785	-0.035	0.381
H15	2.710	0.607	0.194
O16	2.155	-0.122	-0.164

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7721	1.1030	2.4066	3.0153	2.2344	3.3319	4.2077	3.1954	2.8595	2.3826	2.2183	3.9611	3.3462	4.9247	4.4613
H2	1.7721		1.1038	2.9065	2.3610	2.2257	3.9703	4.1264	3.3241	2.4212	3.0543	2.2261	3.2193	3.1276	4.8220	4.5131
C3	1.1030	1.1038		2.2427	2.2201	1.5822	2.9668	3.4588	2.5038	2.2418	2.2178	1.5726	2.9336	2.4863	4.2371	3.7878
H4	2.4066	2.9065	2.2427		1.7746	1.1026	2.4645	2.7711	2.2231	4.3042	3.7042	3.3563	3.9000	3.3944	5.3287	4.5383
H5	3.0153	2.3610	2.2201	1.7746		1.1049	3.0960	2.4537	2.2027	3.8572	3.9890	3.1844	2.8975	2.9260	4.9485	4.3084
C6	2.2344	2.2257	1.5822	1.1026	1.1049		2.2169	2.2388	1.5622	3.4052	3.1110	2.5173	2.8353	2.4450	4.4562	3.7447
H7	3.3319	3.9703	2.9668	2.4645	3.0960	2.2169		1.7849	1.1042	3.8587	2.7520	2.7917	3.0753	2.1591	3.4952	2.5546
H8	4.2077	4.1264	3.4588	2.7711	2.4537	2.2388	1.7849		1.1016	4.3013	3.8903	3.4294	2.4866	2.2176	3.7472	2.8738
C9	3.1954	3.3241	2.5038	2.2231	2.2027	1.5622	1.1042	1.1016		3.4184	2.8438	2.4433	2.1975	1.5475	3.3273	2.4605
H10	2.8595	2.4212	2.2418	4.3042	3.8572	3.4052	3.8587	4.3013	3.4184		1.7861	1.1041	2.4822	2.2361	2.9361	3.0414
H11	2.3826	3.0543	2.2178	3.7042	3.9890	3.1110	2.7520	3.8903	2.8438	1.7861		1.1048	3.0720	2.1660	2.8697	2.6029
C12	2.2183	2.2261	1.5726	3.3563	3.1844	2.5173	2.7917	3.4294	2.4433	1.1041	1.1048		2.2102	1.5600	2.7954	2.5415
H13	3.9611	3.2193	2.9336	3.9000	2.8975	2.8353	3.0753	2.4866	2.1975	2.4822	3.0720	2.2102		1.1092	2.3821	2.1201
C14	3.3462	3.1276	2.4863	3.3944	2.9260	2.4450	2.1591	2.2176	1.5475	2.2361	2.1660	1.5600	1.1092		2.0377	1.4765
H15	4.9247	4.8220	4.2371	5.3287	4.9485	4.4562	3.4952	3.7472	3.3273	2.9361	2.8697	2.7954	2.3821	2.0377		0.9845
O16	4.4613	4.5131	3.7878	4.5383	4.3084	3.7447	2.5546	2.8738	2.4605	3.0414	2.6029	2.5415	2.1201	1.4765	0.9845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.846	H1	C3	C6	111.392
H1	C3	C12	110.792	H2	C3	C6	110.661
H2	C3	C12	111.355	C3	C6	H4	112.069
C3	C6	H5	110.157	C3	C6	C9	105.550
C3	C12	H10	112.582	C3	C12	H11	110.642
C3	C12	C14	105.062	H4	C6	H5	107.007
H4	C6	C9	111.921	H5	C6	C9	110.176
C6	C3	C12	105.866	C6	C9	H7	111.332
C6	C9	H8	113.247	C6	C9	C14	103.669
H7	C9	H8	108.034	H7	C9	C14	107.856
H8	C9	C14	112.589	C9	C14	C12	103.677
C9	C14	H13	110.530	C9	C14	O16	108.882
H10	C12	H11	107.911	H10	C12	C14	113.033
H11	C12	C14	107.513	C12	C14	H13	110.663
C12	C14	O16	113.621	H13	C14	O16	109.336
C14	O16	H15	110.178

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: B3LYP/CEP-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	0.147
2	H	0.134
3	C	-0.294
4	H	0.164
5	H	0.117
6	C	-0.300
7	H	0.130
8	H	0.174
9	C	-0.219
10	H	0.162
11	H	0.129
12	C	-0.300
13	H	0.145
14	C	-0.071
15	H	0.318
16	O	-0.436

	x	y	z	Total
	-0.975	1.355	1.164	2.035
CHELPG
AIM
ESP

	x	y	z
x	9.062	0.256	-0.038
y	0.256	8.173	0.109
z	-0.038	0.109	6.765

<r²>	142.982
(<r²>)^1/2	11.958

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)