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	hartrees
Energy at 0K	-270.049925
Energy at 298.15K	-270.062314
Nuclear repulsion energy	255.333301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4181	3786	44.74
2	A	3248	2941	111.80
3	A	3234	2928	18.41
4	A	3218	2914	6.34
5	A	3211	2908	63.84
6	A	3201	2898	39.32
7	A	3187	2886	46.09
8	A	3178	2878	28.07
9	A	3170	2870	35.24
10	A	3112	2818	54.75
11	A	1648	1492	2.29
12	A	1623	1469	3.34
13	A	1620	1467	1.61
14	A	1607	1455	0.27
15	A	1565	1417	6.22
16	A	1511	1368	38.19
17	A	1463	1324	0.13
18	A	1454	1317	0.52
19	A	1435	1299	11.36
20	A	1419	1285	5.64
21	A	1383	1252	28.66
22	A	1370	1241	2.67
23	A	1324	1199	30.63
24	A	1305	1182	0.25
25	A	1287	1165	9.91
26	A	1218	1103	80.11
27	A	1161	1051	21.07
28	A	1118	1012	1.50
29	A	1056	956	1.21
30	A	1041	943	2.76
31	A	1014	918	5.35
32	A	955	865	0.07
33	A	933	845	0.27
34	A	877	795	0.94
35	A	817	740	1.22
36	A	669	605	0.32
37	A	576	522	6.17
38	A	502	455	7.17
39	A	384	348	12.31
40	A	296	268	119.08
41	A	196	177	0.89
42	A	39	36	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-2.157	1.268	-0.605
H2	-1.741	1.113	1.079
C3	-1.462	0.794	0.079
H4	-2.061	-1.091	-0.878
H5	-1.981	-1.181	0.857
C6	-1.496	-0.756	-0.016
H7	0.253	-1.413	-1.143
H8	0.193	-2.097	0.466
C9	-0.022	-1.206	-0.113
H10	0.275	2.137	0.231
H11	0.178	1.242	-1.277
C12	-0.006	1.183	-0.207
H13	0.779	0.048	1.439
C14	0.789	0.001	0.348
H15	2.603	0.639	0.195
O16	2.105	-0.095	-0.114

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7417	1.0840	2.3765	2.8575	2.2096	3.6451	4.2417	3.3046	2.7147	2.4301	2.1895	3.7798	3.3453	4.8676	4.5014
H2	1.7417		1.0862	2.9648	2.3175	2.1800	3.9104	3.7972	3.1225	2.4148	3.0414	2.1607	2.7590	2.8581	4.4577	4.2035
C3	1.0840	1.0862		2.1974	2.1857	1.5539	3.0506	3.3539	2.4720	2.2005	2.1746	1.5339	2.7256	2.4015	4.0694	3.6809
H4	2.3765	2.9648	2.1974		1.7388	1.0842	2.3513	2.8102	2.1808	4.1357	3.2581	3.1374	3.8382	3.2888	5.0888	4.3505
H5	2.8575	2.3175	2.1857	1.7388		1.0848	3.0067	2.3909	2.1855	4.0608	3.8842	3.2590	3.0769	3.0542	4.9760	4.3373
C6	2.2096	2.1800	1.5539	1.0842	1.0848		2.1816	2.2091	1.5436	3.4008	2.8960	2.4528	2.8172	2.4340	4.3346	3.6617
H7	3.6451	3.9104	3.0506	2.3513	3.0067	2.1816		1.7486	1.0860	3.8063	2.6599	2.7714	3.0127	2.1233	3.3945	2.4944
H8	4.2417	3.7972	3.3539	2.8102	2.3909	2.2091	1.7486		1.0839	4.2412	3.7670	3.3541	2.4276	2.1846	3.6563	2.8282
C9	3.3046	3.1225	2.4720	2.1808	2.1855	1.5436	1.0860	1.0839		3.3733	2.7184	2.3906	2.1498	1.5253	3.2232	2.3992
H10	2.7147	2.4148	2.2005	4.1357	4.0608	3.4008	3.8063	4.2412	3.3733		1.7562	1.0866	2.4650	2.1995	2.7681	2.9065
H11	2.4301	3.0414	2.1746	3.2581	3.8842	2.8960	2.6599	3.7670	2.7184	1.7562		1.0876	3.0277	2.1342	2.9006	2.6182
C12	2.1895	2.1607	1.5339	3.1374	3.2590	2.4528	2.7714	3.3541	2.3906	1.0866	1.0876		2.1479	1.5282	2.6949	2.4691
H13	3.7798	2.7590	2.7256	3.8382	3.0769	2.8172	3.0127	2.4276	2.1498	2.4650	3.0277	2.1479		1.0923	2.2853	2.0470
C14	3.3453	2.8581	2.4015	3.2888	3.0542	2.4340	2.1233	2.1846	1.5253	2.1995	2.1342	1.5282	1.0923		1.9289	1.3979
H15	4.8676	4.4577	4.0694	5.0888	4.9760	4.3346	3.3945	3.6563	3.2232	2.7681	2.9006	2.6949	2.2853	1.9289		0.9399
O16	4.5014	4.2035	3.6809	4.3505	4.3373	3.6617	2.4944	2.8282	2.3992	2.9065	2.6182	2.4691	2.0470	1.3979	0.9399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.750	H1	C3	C6	112.565
H1	C3	C12	112.375	H2	C3	C6	110.064
H2	C3	C12	109.934	C3	C6	H4	111.569
C3	C6	H5	110.599	C3	C6	C9	105.890
C3	C12	H10	113.122	C3	C12	H11	110.953
C3	C12	C14	103.304	H4	C6	H5	106.582
H4	C6	C9	110.971	H5	C6	C9	111.310
C6	C3	C12	105.185	C6	C9	H7	110.921
C6	C9	H8	113.277	C6	C9	C14	104.952
H7	C9	H8	107.382	H7	C9	C14	107.612
H8	C9	C14	112.602	C9	C14	C12	103.051
C9	C14	H13	109.312	C9	C14	O16	110.241
H10	C12	H11	107.755	H10	C12	C14	113.450
H11	C12	C14	108.168	C12	C14	H13	108.964
C12	C14	O16	115.015	H13	C14	O16	109.973
C14	O16	H15	109.640

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/6-31G(2df,p)

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	0.130
2	H	0.124
3	C	-0.261
4	H	0.130
5	H	0.126
6	C	-0.259
7	H	0.137
8	H	0.129
9	C	-0.257
10	H	0.114
11	H	0.131
12	C	-0.279
13	H	0.091
14	C	0.217
15	H	0.322
16	O	-0.595

	x	y	z	Total
	-0.559	1.165	0.812	1.526
CHELPG
AIM
ESP

	x	y	z
x	8.394	0.171	-0.005
y	0.171	7.972	0.054
z	-0.005	0.054	7.130

<r²>	164.839
(<r²>)^1/2	12.839

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)