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	hartrees
Energy at 0K	-270.112850
Energy at 298.15K	-270.125259
Nuclear repulsion energy	255.599034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4189	3806	54.97
2	A	3231	2936	121.87
3	A	3216	2922	20.18
4	A	3200	2908	8.50
5	A	3194	2902	70.19
6	A	3186	2895	46.61
7	A	3173	2883	43.31
8	A	3163	2874	23.68
9	A	3156	2868	35.91
10	A	3106	2822	46.04
11	A	1648	1497	3.22
12	A	1622	1474	4.34
13	A	1620	1472	2.88
14	A	1607	1461	0.44
15	A	1558	1415	8.25
16	A	1506	1369	31.52
17	A	1461	1328	0.14
18	A	1454	1321	1.24
19	A	1434	1303	8.34
20	A	1420	1290	4.37
21	A	1379	1253	24.17
22	A	1370	1245	4.85
23	A	1321	1200	31.91
24	A	1304	1185	0.23
25	A	1284	1167	13.51
26	A	1210	1099	89.81
27	A	1160	1054	19.49
28	A	1116	1014	1.93
29	A	1057	961	0.94
30	A	1042	947	3.37
31	A	1014	921	5.66
32	A	955	868	0.08
33	A	932	847	0.23
34	A	878	798	0.99
35	A	819	744	1.11
36	A	669	608	0.27
37	A	577	524	7.17
38	A	504	458	6.66
39	A	387	352	12.14
40	A	290	264	123.39
41	A	198	180	1.06
42	A	41	37	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	-2.156	1.267	-0.598
H2	-1.733	1.111	1.082
C3	-1.460	0.794	0.082
H4	-2.059	-1.087	-0.876
H5	-1.978	-1.180	0.856
C6	-1.494	-0.755	-0.015
H7	0.249	-1.414	-1.142
H8	0.192	-2.093	0.465
C9	-0.023	-1.205	-0.114
H10	0.276	2.133	0.227
H11	0.172	1.240	-1.279
C12	-0.007	1.181	-0.210
H13	0.779	0.049	1.434
C14	0.786	0.001	0.345
H15	2.614	0.628	0.204
O16	2.104	-0.094	-0.112

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7391	1.0821	2.3724	2.8520	2.2061	3.6426	4.2352	3.3006	2.7102	2.4258	2.1858	3.7719	3.3386	4.8795	4.4992
H2	1.7391		1.0843	2.9610	2.3146	2.1769	3.9050	3.7885	3.1169	2.4113	3.0366	2.1575	2.7502	2.8496	4.4615	4.1959
C3	1.0821	1.0843		2.1938	2.1825	1.5519	3.0481	3.3481	2.4689	2.1972	2.1711	1.5318	2.7194	2.3958	4.0793	3.6782
H4	2.3724	2.9610	2.1938		1.7363	1.0822	2.3464	2.8072	2.1773	4.1276	3.2491	3.1305	3.8314	3.2816	5.0943	4.3482
H5	2.8520	2.3146	2.1825	1.7363		1.0828	3.0012	2.3868	2.1824	4.0562	3.8780	3.2552	3.0731	3.0489	4.9783	4.3339
C6	2.2061	2.1769	1.5519	1.0822	1.0828		2.1783	2.2058	1.5417	3.3960	2.8908	2.4493	2.8127	2.4291	4.3408	3.6603
H7	3.6426	3.9050	3.0481	2.3464	3.0012	2.1783		1.7459	1.0841	3.8021	2.6589	2.7693	3.0094	2.1220	3.4029	2.4995
H8	4.2352	3.7885	3.3481	2.8072	2.3868	2.2058	1.7459		1.0822	4.2339	3.7624	3.3491	2.4229	2.1804	3.6525	2.8260
C9	3.3006	3.1169	2.4689	2.1773	2.1824	1.5417	1.0841	1.0822		3.3684	2.7154	2.3877	2.1470	1.5229	3.2275	2.4000
H10	2.7102	2.4113	2.1972	4.1276	4.0562	3.3960	3.8021	4.2339	3.3684		1.7537	1.0848	2.4607	2.1950	2.7808	2.9014
H11	2.4258	3.0366	2.1711	3.2491	3.8780	2.8908	2.6589	3.7624	2.7154	1.7537		1.0857	3.0247	2.1329	2.9226	2.6227
C12	2.1858	2.1575	1.5318	3.1305	3.2552	2.4493	2.7693	3.3491	2.3877	1.0848	1.0857		2.1451	1.5257	2.7106	2.4684
H13	3.7719	2.7502	2.7194	3.8314	3.0731	2.8127	3.0094	2.4229	2.1470	2.4607	3.0247	2.1451		1.0901	2.2838	2.0412
C14	3.3386	2.8496	2.3958	3.2816	3.0489	2.4291	2.1220	2.1804	1.5229	2.1950	2.1329	1.5257	1.0901		1.9381	1.3987
H15	4.8795	4.4615	4.0793	5.0943	4.9783	4.3408	3.4029	3.6525	3.2275	2.7808	2.9226	2.7106	2.2838	1.9381		0.9390
O16	4.4992	4.1959	3.6782	4.3482	4.3339	3.6603	2.4995	2.8260	2.4000	2.9014	2.6227	2.4684	2.0412	1.3987	0.9390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.791	H1	C3	C6	112.543
H1	C3	C12	112.350	H2	C3	C6	110.072
H2	C3	C12	109.941	C3	C6	H4	111.532
C3	C6	H5	110.599	C3	C6	C9	105.891
C3	C12	H10	113.115	C3	C12	H11	110.935
C3	C12	C14	103.180	H4	C6	H5	106.638
H4	C6	C9	110.941	H5	C6	C9	111.319
C6	C3	C12	105.174	C6	C9	H7	110.906
C6	C9	H8	113.262	C6	C9	C14	104.863
H7	C9	H8	107.400	H7	C9	C14	107.779
H8	C9	C14	112.543	C9	C14	C12	103.113
C9	C14	H13	109.385	C9	C14	O16	110.394
H10	C12	H11	107.797	H10	C12	C14	113.382
H11	C12	C14	108.347	C12	C14	H13	109.048
C12	C14	O16	115.075	H13	C14	O16	109.576
C14	O16	H15	110.453

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/6-311+G(3df,2p)

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	0.120
2	H	0.144
3	C	-0.334
4	H	0.126
5	H	0.132
6	C	-0.285
7	H	0.148
8	H	0.110
9	C	-0.264
10	H	0.099
11	H	0.146
12	C	-0.208
13	H	0.119
14	C	0.541
15	H	0.198
16	O	-0.791

	x	y	z	Total
	-0.702	1.192	0.884	1.642
CHELPG
AIM
ESP

	x	y	z
x	9.381	0.105	-0.052
y	0.105	8.865	0.032
z	-0.052	0.032	7.739

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)