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	hartrees
Energy at 0K	-271.654309
Energy at 298.15K	-271.666155
Nuclear repulsion energy	250.924392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3649	12.24
2	A	3032	3016	73.13
3	A	3016	3000	25.38
4	A	3005	2989	23.17
5	A	3001	2986	36.86
6	A	2987	2971	45.69
7	A	2974	2959	33.40
8	A	2958	2942	41.63
9	A	2956	2941	29.16
10	A	2898	2883	49.77
11	A	1485	1477	2.23
12	A	1462	1455	4.27
13	A	1459	1451	1.66
14	A	1453	1446	1.35
15	A	1366	1359	5.24
16	A	1328	1321	18.67
17	A	1299	1292	0.63
18	A	1285	1279	1.49
19	A	1276	1270	2.68
20	A	1255	1248	7.65
21	A	1246	1239	1.46
22	A	1214	1208	19.40
23	A	1175	1168	2.98
24	A	1153	1146	0.69
25	A	1149	1143	16.11
26	A	1033	1028	5.03
27	A	1023	1018	79.74
28	A	991	985	20.31
29	A	972	967	0.77
30	A	935	930	15.75
31	A	909	904	7.87
32	A	859	855	0.03
33	A	841	837	0.12
34	A	791	787	2.47
35	A	761	757	0.89
36	A	591	588	0.53
37	A	519	516	4.23
38	A	455	453	7.99
39	A	348	346	12.41
40	A	268	267	117.23
41	A	188	187	1.21
42	A	41	41	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	2.234	-1.325	-0.486
H2	1.717	-1.000	1.179
C3	1.489	-0.784	0.120
H4	1.887	0.981	-1.143
H5	2.177	1.278	0.576
C6	1.508	0.762	-0.131
H7	-0.368	1.622	-0.953
H8	-0.111	2.034	0.752
C9	0.018	1.236	0.005
H10	-0.245	-2.183	0.233
H11	-0.132	-1.255	-1.289
C12	0.032	-1.206	-0.198
H13	-0.873	-0.130	1.473
C14	-0.802	-0.029	0.370
H15	-2.662	-0.674	0.107
O16	-2.137	0.098	-0.181

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7729	1.1018	2.4225	2.8115	2.2376	3.9584	4.2794	3.4211	2.7204	2.5000	2.2237	3.8621	3.4099	4.9750	4.6069
H2	1.7729		1.1047	3.0571	2.4015	2.2060	3.9710	3.5686	3.0438	2.4790	3.0951	2.1857	2.7486	2.8187	4.5209	4.2323
C3	1.1018	1.1047		2.2067	2.2213	1.5665	3.2229	3.3020	2.5011	2.2309	2.1993	1.5494	2.7994	2.4251	4.1529	3.7439
H4	2.4225	3.0571	2.2067		1.7678	1.1024	2.3521	2.9483	2.2079	4.0562	3.0169	3.0193	3.9617	3.2469	5.0002	4.2310
H5	2.8115	2.4015	2.2213	1.7678		1.1017	2.9883	2.4160	2.2330	4.2384	3.9024	3.3714	3.4770	3.2597	5.2390	4.5360
C6	2.2376	2.2060	1.5665	1.1024	1.1017		2.2210	2.2405	1.5689	3.4466	2.8461	2.4603	3.0062	2.4927	4.4170	3.7053
H7	3.9584	3.9710	3.2229	2.3521	2.9883	2.2210		1.7726	1.1026	3.9872	2.9061	2.9536	3.0343	2.1598	3.4144	2.4594
H8	4.2794	3.5686	3.3020	2.9483	2.4160	2.2405	1.7726		1.1011	4.2511	3.8713	3.3791	2.4050	2.2094	3.7758	2.9535
C9	3.4211	3.0438	2.5011	2.2079	2.2330	1.5689	1.1026	1.1011		3.4364	2.8111	2.4496	2.1940	1.5514	3.2929	2.4444
H10	2.7204	2.4790	2.2309	4.0562	4.2384	3.4466	3.9872	4.2511	3.4364		1.7865	1.1037	2.4789	2.2287	2.8525	2.9921
H11	2.5000	3.0951	2.1993	3.0169	3.9024	2.8461	2.9061	3.8713	2.8111	1.7865		1.1051	3.0730	2.1691	2.9480	2.6607
C12	2.2237	2.1857	1.5494	3.0193	3.3714	2.4603	2.9536	3.3791	2.4496	1.1037	1.1051		2.1831	1.5497	2.7636	2.5309
H13	3.8621	2.7486	2.7994	3.9617	3.4770	3.0062	3.0343	2.4050	2.1940	2.4789	3.0730	2.1831		1.1094	2.3154	2.0935
C14	3.4099	2.8187	2.4251	3.2469	3.2597	2.4927	2.1598	2.2094	1.5514	2.2287	2.1691	1.5497	1.1094		1.9862	1.4498
H15	4.9750	4.5209	4.1529	5.0002	5.2390	4.4170	3.4144	3.7758	3.2929	2.8525	2.9480	2.7636	2.3154	1.9862		0.9769
O16	4.6069	4.2323	3.7439	4.2310	4.5360	3.7053	2.4594	2.9535	2.4444	2.9921	2.6607	2.5309	2.0935	1.4498	0.9769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.925	H1	C3	C6	112.816
H1	C3	C12	112.934	H2	C3	C6	110.146
H2	C3	C12	109.742	C3	C6	H4	110.338
C3	C6	H5	111.527	C3	C6	C9	105.818
C3	C12	H10	113.405	C3	C12	H11	110.778
C3	C12	C14	102.982	H4	C6	H5	106.658
H4	C6	C9	110.267	H5	C6	C9	112.287
C6	C3	C12	104.293	C6	C9	H7	111.280
C6	C9	H8	112.928	C6	C9	C14	106.044
H7	C9	H8	107.100	H7	C9	C14	107.740
H8	C9	C14	111.685	C9	C14	C12	104.354
C9	C14	H13	109.984	C9	C14	O16	109.029
H10	C12	H11	107.960	H10	C12	C14	113.192
H11	C12	C14	108.412	C12	C14	H13	109.249
C12	C14	O16	115.037	H13	C14	O16	109.058
C14	O16	H15	108.292

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: BLYP/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.136
2	H	0.140
3	C	-0.279
4	H	0.141
5	H	0.137
6	C	-0.296
7	H	0.160
8	H	0.140
9	C	-0.279
10	H	0.130
11	H	0.155
12	C	-0.289
13	H	0.123
14	C	0.045
15	H	0.331
16	O	-0.494

	x	y	z	Total
	0.744	-1.240	0.888	1.696
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	170.434
(<r²>)^1/2	13.055

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)