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	hartrees
Energy at 0K	-270.323830
Energy at 298.15K	-270.335805
Nuclear repulsion energy	255.788768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3739	3678	15.61
2	A	3071	3021	36.14
3	A	3061	3011	9.14
4	A	3048	2998	6.42
5	A	3041	2992	29.04
6	A	3012	2963	28.11
7	A	2997	2948	14.61
8	A	2992	2943	22.23
9	A	2979	2930	20.18
10	A	2871	2824	54.40
11	A	1463	1439	5.42
12	A	1435	1412	8.51
13	A	1432	1409	5.06
14	A	1422	1399	1.84
15	A	1392	1369	3.83
16	A	1335	1313	41.83
17	A	1291	1270	0.05
18	A	1276	1255	3.53
19	A	1269	1249	12.61
20	A	1245	1225	9.63
21	A	1225	1205	13.23
22	A	1221	1201	4.63
23	A	1175	1156	24.41
24	A	1167	1148	11.00
25	A	1152	1134	3.19
26	A	1130	1111	32.89
27	A	1067	1050	38.58
28	A	1050	1033	12.57
29	A	964	948	4.03
30	A	957	942	8.37
31	A	929	914	2.00
32	A	901	886	0.10
33	A	892	878	0.08
34	A	804	791	1.37
35	A	747	735	2.08
36	A	597	587	0.95
37	A	536	527	5.96
38	A	460	452	6.89
39	A	358	352	25.37
40	A	291	286	104.45
41	A	192	189	0.69
42	A	50	49	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	2.199	-1.306	-0.499
H2	1.655	-1.050	1.164
C3	1.447	-0.782	0.112
H4	1.993	1.034	-0.992
H5	2.055	1.224	0.759
C6	1.485	0.748	-0.057
H7	-0.315	1.433	-1.103
H8	-0.187	2.084	0.543
C9	0.019	1.197	-0.076
H10	-0.280	-2.159	0.147
H11	-0.144	-1.155	-1.327
C12	0.021	-1.166	-0.232
H13	-0.755	-0.101	1.467
C14	-0.782	-0.017	0.353
H15	-2.581	-0.698	0.159
O16	-2.097	0.102	-0.116

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7690	1.1019	2.4004	2.8290	2.2191	3.7674	4.2753	3.3460	2.7000	2.4891	2.1994	3.7474	3.3584	4.8630	4.5376
H2	1.7690		1.1054	3.0182	2.3439	2.1800	3.8977	3.6888	3.0435	2.4510	3.0743	2.1527	2.6075	2.7688	4.3677	4.1287
C3	1.1019	1.1054		2.1948	2.1931	1.5397	3.0810	3.3279	2.4476	2.2087	2.1772	1.5167	2.6733	2.3695	4.0289	3.6601
H4	2.4004	3.0182	2.1948		1.7623	1.1026	2.3456	2.8663	2.1824	4.0815	3.0773	3.0510	3.8582	3.2588	5.0244	4.2860
H5	2.8290	2.3439	2.1931	1.7623		1.1025	3.0209	2.4113	2.1999	4.1548	3.8520	3.2903	3.1853	3.1226	5.0534	4.3885
C6	2.2191	2.1800	1.5397	1.1026	1.1025		2.1923	2.2234	1.5331	3.4063	2.8082	2.4159	2.8385	2.4278	4.3204	3.6405
H7	3.7674	3.8977	3.0810	2.3456	3.0209	2.1923		1.7742	1.1057	3.8035	2.6039	2.7618	3.0249	2.1078	3.3564	2.4337
H8	4.2753	3.6888	3.3279	2.8663	2.4113	2.2234	1.7742		1.1015	4.2624	3.7404	3.3476	2.4395	2.1921	3.6901	2.8303
C9	3.3460	3.0435	2.4476	2.1824	2.1999	1.5331	1.1057	1.1015		3.3761	2.6687	2.3676	2.1593	1.5166	3.2256	2.3832
H10	2.7000	2.4510	2.2087	4.0815	4.1548	3.4063	3.8035	4.2624	3.3761		1.7882	1.1044	2.4902	2.2095	2.7252	2.9125
H11	2.4891	3.0743	2.1772	3.0773	3.8520	2.8082	2.6039	3.7404	2.6687	1.7882		1.1072	3.0477	2.1275	2.8903	2.6199
C12	2.1994	2.1527	1.5167	3.0510	3.2903	2.4159	2.7618	3.3476	2.3676	1.1044	1.1072		2.1494	1.5188	2.6716	2.4710
H13	3.7474	2.6075	2.6733	3.8582	3.1853	2.8385	3.0249	2.4395	2.1593	2.4902	3.0477	2.1494		1.1169	2.3244	2.0852
C14	3.3584	2.7688	2.3695	3.2588	3.1226	2.4278	2.1078	2.1921	1.5166	2.2095	2.1275	1.5188	1.1169		1.9328	1.4011
H15	4.8630	4.3677	4.0289	5.0244	5.0534	4.3204	3.3564	3.6901	3.2256	2.7252	2.8903	2.6716	2.3244	1.9328		0.9741
O16	4.5376	4.1287	3.6601	4.2860	4.3885	3.6405	2.4337	2.8303	2.3832	2.9125	2.6199	2.4710	2.0852	1.4011	0.9741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.536	H1	C3	C6	113.253
H1	C3	C12	113.310	H2	C3	C6	109.922
H2	C3	C12	109.365	C3	C6	H4	111.254
C3	C6	H5	111.123	C3	C6	C9	105.597
C3	C12	H10	113.913	C3	C12	H11	111.184
C3	C12	C14	102.625	H4	C6	H5	106.109
H4	C6	C9	110.731	H5	C6	C9	112.127
C6	C3	C12	104.447	C6	C9	H7	111.330
C6	C9	H8	114.106	C6	C9	C14	105.509
H7	C9	H8	106.992	H7	C9	C14	105.922
H8	C9	C14	112.747	C9	C14	C12	102.517
C9	C14	H13	109.221	C9	C14	O16	109.470
H10	C12	H11	107.914	H10	C12	C14	113.824
H11	C12	C14	107.182	C12	C14	H13	108.309
C12	C14	O16	115.554	H13	C14	O16	111.312
C14	O16	H15	107.564

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: SVWN/6-31G**

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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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	0.132
3	C	-0.261
4	H	0.136
5	H	0.132
6	C	-0.263
7	H	0.144
8	H	0.133
9	C	-0.260
10	H	0.116
11	H	0.135
12	C	-0.274
13	H	0.098
14	C	0.095
15	H	0.322
16	O	-0.515

	x	y	z	Total
	0.406	-1.216	0.659	1.442
CHELPG
AIM
ESP

	x	y	z
x	8.828	0.242	0.028
y	0.242	8.359	-0.087
z	0.028	-0.087	7.541

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: SVWN/6-31G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)