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	hartrees
Energy at 0K	-271.645430
Energy at 298.15K	-271.657300
Nuclear repulsion energy	251.545485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3662	3642	6.70
2	A	3030	3014	69.80
3	A	3014	2998	19.95
4	A	3002	2986	18.21
5	A	3000	2983	36.62
6	A	2985	2968	41.94
7	A	2973	2957	25.91
8	A	2957	2941	31.10
9	A	2953	2937	26.37
10	A	2869	2853	54.57
11	A	1479	1471	1.17
12	A	1457	1449	1.89
13	A	1455	1447	0.64
14	A	1450	1442	0.64
15	A	1385	1377	4.97
16	A	1337	1329	23.27
17	A	1302	1294	1.31
18	A	1291	1284	2.28
19	A	1279	1272	3.73
20	A	1256	1250	14.61
21	A	1249	1242	0.04
22	A	1223	1217	16.77
23	A	1180	1173	2.56
24	A	1156	1150	2.44
25	A	1151	1145	9.30
26	A	1048	1042	53.38
27	A	1030	1025	29.29
28	A	998	993	10.47
29	A	971	966	0.20
30	A	936	931	10.20
31	A	913	908	5.01
32	A	863	859	0.06
33	A	846	841	0.21
34	A	791	786	2.04
35	A	758	754	0.46
36	A	592	589	0.62
37	A	521	518	3.31
38	A	454	451	6.65
39	A	349	347	11.45
40	A	274	272	91.62
41	A	187	186	0.59
42	A	40	39	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	2.230	-1.325	-0.480
H2	1.709	-0.999	1.179
C3	1.484	-0.784	0.121
H4	1.886	0.979	-1.139
H5	2.173	1.275	0.576
C6	1.505	0.759	-0.130
H7	-0.367	1.615	-0.956
H8	-0.110	2.036	0.744
C9	0.018	1.234	0.003
H10	-0.249	-2.181	0.226
H11	-0.136	-1.248	-1.290
C12	0.030	-1.203	-0.199
H13	-0.861	-0.130	1.474
C14	-0.807	-0.028	0.370
H15	-2.630	-0.688	0.094
O16	-2.128	0.100	-0.177

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7697	1.1002	2.4211	2.8062	2.2344	3.9514	4.2748	3.4167	2.7163	2.5022	2.2217	3.8476	3.4098	4.9355	4.5954
H2	1.7697		1.1035	3.0534	2.3979	2.2023	3.9627	3.5659	3.0381	2.4775	3.0921	2.1817	2.7289	2.8153	4.4837	4.2155
C3	1.1002	1.1035		2.2046	2.2182	1.5641	3.2156	3.2993	2.4970	2.2280	2.1972	1.5464	2.7853	2.4248	4.1152	3.7304
H4	2.4211	3.0534	2.2046		1.7638	1.1010	2.3486	2.9411	2.2047	4.0511	3.0123	3.0157	3.9510	3.2475	4.9701	4.2210
H5	2.8062	2.3979	2.2182	1.7638		1.1002	2.9854	2.4128	2.2299	4.2340	3.8952	3.3660	3.4616	3.2583	5.2109	4.5214
C6	2.2344	2.2023	1.5641	1.1010	1.1002		2.2174	2.2367	1.5662	3.4420	2.8399	2.4558	2.9937	2.4926	4.3867	3.6924
H7	3.9514	3.9627	3.2156	2.3486	2.9854	2.2174		1.7698	1.1014	3.9773	2.8913	2.9446	3.0323	2.1567	3.3953	2.4502
H8	4.2748	3.5659	3.2993	2.9411	2.4128	2.2367	1.7698		1.0996	4.2512	3.8627	3.3766	2.4062	2.2106	3.7676	2.9441
C9	3.4167	3.0381	2.4970	2.2047	2.2299	1.5662	1.1014	1.0996		3.4325	2.8024	2.4452	2.1903	1.5517	3.2736	2.4340
H10	2.7163	2.4775	2.2280	4.0511	4.2340	3.4420	3.9773	4.2512	3.4325		1.7833	1.1021	2.4780	2.2284	2.8136	2.9826
H11	2.5022	3.0921	2.1972	3.0123	3.8952	2.8399	2.8913	3.8627	2.8024	1.7833		1.1042	3.0684	2.1660	2.9065	2.6500
C12	2.2217	2.1817	1.5464	3.0157	3.3660	2.4558	2.9446	3.3766	2.4452	1.1021	1.1042		2.1783	1.5503	2.7252	2.5209
H13	3.8476	2.7289	2.7853	3.9510	3.4616	2.9937	3.0323	2.4062	2.1903	2.4780	3.0684	2.1783		1.1104	2.3127	2.0941
C14	3.4098	2.8153	2.4248	3.2475	3.2583	2.4926	2.1567	2.2106	1.5517	2.2284	2.1660	1.5503	1.1104		1.9589	1.4359
H15	4.9355	4.4837	4.1152	4.9701	5.2109	4.3867	3.3953	3.7676	3.2736	2.8136	2.9065	2.7252	2.3127	1.9589		0.9729
O16	4.5954	4.2155	3.7304	4.2210	4.5214	3.6924	2.4502	2.9441	2.4340	2.9826	2.6500	2.5209	2.0941	1.4359	0.9729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.842	H1	C3	C6	112.834
H1	C3	C12	113.085	H2	C3	C6	110.101
H2	C3	C12	109.712	C3	C6	H4	110.421
C3	C6	H5	111.542	C3	C6	C9	105.821
C3	C12	H10	113.483	C3	C12	H11	110.882
C3	C12	C14	103.080	H4	C6	H5	106.507
H4	C6	C9	110.283	H5	C6	C9	112.328
C6	C3	C12	104.280	C6	C9	H7	111.258
C6	C9	H8	112.916	C6	C9	C14	106.154
H7	C9	H8	107.047	H7	C9	C14	107.546
H8	C9	C14	111.848	C9	C14	C12	104.047
C9	C14	H13	109.615	C9	C14	O16	109.051
H10	C12	H11	107.856	H10	C12	C14	113.235
H11	C12	C14	108.190	C12	C14	H13	108.783
C12	C14	O16	115.117	H13	C14	O16	110.002
C14	O16	H15	107.259

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: BLYP/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	0.077
2	H	0.081
3	C	-0.164
4	H	0.084
5	H	0.078
6	C	-0.167
7	H	0.093
8	H	0.080
9	C	-0.163
10	H	0.064
11	H	0.084
12	C	-0.198
13	H	0.042
14	C	0.140
15	H	0.260
16	O	-0.390

	x	y	z	Total
	0.431	-1.066	0.666	1.329
CHELPG
AIM
ESP

	x	y	z
x	9.324	0.233	-0.017
y	0.233	8.665	-0.055
z	-0.017	-0.055	7.629

<r²>	168.698
(<r²>)^1/2	12.988

All results from a given calculation for C5H10O (Cyclopentanol)

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

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)