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	hartrees
Energy at 0K	-49.810258
Energy at 298.15K	-49.822426
HF Energy	-48.963407
Nuclear repulsion energy	143.873060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3590	15.08
2	A	3169	3019	70.90
3	A	3158	3009	5.07
4	A	3142	2993	2.14
5	A	3120	2973	32.28
6	A	3102	2955	24.98
7	A	3092	2946	65.21
8	A	3084	2939	57.10
9	A	3068	2923	62.14
10	A	3055	2911	15.67
11	A	1553	1480	1.91
12	A	1529	1457	4.67
13	A	1525	1453	3.49
14	A	1512	1441	3.80
15	A	1430	1363	5.78
16	A	1392	1327	15.62
17	A	1376	1311	0.81
18	A	1355	1291	13.31
19	A	1341	1278	12.72
20	A	1315	1253	1.26
21	A	1287	1227	1.32
22	A	1241	1182	7.01
23	A	1222	1164	43.66
24	A	1216	1159	7.02
25	A	1195	1138	8.04
26	A	1083	1032	4.20
27	A	1071	1020	11.38
28	A	1040	991	21.45
29	A	1020	972	18.09
30	A	961	915	7.01
31	A	926	882	5.06
32	A	908	865	2.79
33	A	876	835	3.47
34	A	848	808	4.26
35	A	780	743	2.71
36	A	731	697	3.88
37	A	627	597	2.61
38	A	410	390	6.00
39	A	385	367	13.64
40	A	327	311	128.92
41	A	204	195	1.06
42	A	17	16	0.38

Atom	x (Å)	y (Å)	z (Å)
H1	-0.763	1.195	-1.382
H2	-1.993	1.497	-0.144
C3	-1.100	0.909	-0.381
H4	-1.466	-1.039	-1.339
H5	-2.306	-0.842	0.200
C6	-1.372	-0.625	-0.330
H7	0.258	-2.127	-0.091
H8	-0.438	-1.554	1.437
C9	-0.157	-1.253	0.420
H10	-0.354	1.201	1.658
H11	0.616	2.056	0.442
C12	0.042	1.139	0.635
H13	1.607	-0.276	1.318
C14	0.887	-0.134	0.497
H15	2.152	0.640	-0.798
O16	1.581	-0.149	-0.777

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7710	1.0944	2.3425	3.0063	2.1891	3.7079	3.9512	3.0995	3.0678	2.4434	2.1723	3.8820	2.8325	3.0246	2.7693
H2	1.7710		1.0956	2.8527	2.3853	2.2193	4.2667	3.7720	3.3539	2.4546	2.7322	2.2086	4.2708	3.3720	4.2831	3.9858
C3	1.0944	1.0956		2.2016	2.2048	1.5592	3.3384	3.1318	2.4903	2.1909	2.2219	1.5454	3.4079	2.4099	3.2893	2.9092
H4	2.3425	2.8527	2.2016		1.7653	1.0946	2.3903	3.0053	2.2030	3.9038	4.1335	3.3039	4.1331	3.1190	4.0248	3.2234
H5	3.0063	2.3853	2.2048	1.7653		1.0961	2.8829	2.3512	2.1989	3.1803	4.1232	3.1036	4.1088	3.2849	4.8033	4.0680
C6	2.1891	2.2193	1.5592	1.0946	1.0961		2.2293	2.2044	1.5595	2.8857	3.4264	2.4589	3.4223	2.4559	3.7736	3.0246
H7	3.7079	4.2667	3.3384	2.3903	2.8829	2.2293		1.7743	1.0948	3.8091	4.2321	3.3530	2.6890	2.1711	3.4270	2.4767
H8	3.9512	3.7720	3.1318	3.0053	2.3512	2.2044	1.7743		1.0973	2.7647	3.8898	2.8508	2.4138	2.1575	4.0638	3.3093
C9	3.0995	3.3539	2.4903	2.2030	2.1989	1.5595	1.0948	1.0973		2.7552	3.3978	2.4097	2.2072	1.5323	3.2246	2.3817
H10	3.0678	2.4546	2.1909	3.9038	3.1803	2.8857	3.8091	2.7647	2.7552		1.7752	1.0993	2.4779	2.1614	3.5534	3.3909
H11	2.4434	2.7322	2.2219	4.1335	4.1232	3.4264	4.2321	3.8898	3.3978	1.7752		1.0985	2.6805	2.2076	2.4293	2.6982
C12	2.1723	2.2086	1.5454	3.3039	3.1036	2.4589	3.3530	2.8508	2.4097	1.0993	1.0985		2.2174	1.5347	2.5986	2.4539
H13	3.8820	4.2708	3.4079	4.1331	4.1088	3.4223	2.6890	2.4138	2.2072	2.4779	2.6805	2.2174		1.1005	2.3690	2.0989
C14	2.8325	3.3720	2.4099	3.1190	3.2849	2.4559	2.1711	2.1575	1.5323	2.1614	2.2076	1.5347	1.1005		1.9686	1.4508
H15	3.0246	4.2831	3.2893	4.0248	4.8033	3.7736	3.4270	4.0638	3.2246	3.5534	2.4293	2.5986	2.3690	1.9686		0.9742
O16	2.7693	3.9858	2.9092	3.2234	4.0680	3.0246	2.4767	3.3093	2.3817	3.3909	2.6982	2.4539	2.0989	1.4508	0.9742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	107.933	H1	C3	C6	109.935
H1	C3	C12	109.568	H2	C3	C6	112.251
H2	C3	C12	112.378	C3	C6	H4	110.904
C3	C6	H5	111.069	C3	C6	C9	105.970
C3	C12	H10	110.737	C3	C12	H11	113.281
C3	C12	C14	102.961	H4	C6	H5	107.384
H4	C6	C9	110.988	H5	C6	C9	110.575
C6	C3	C12	104.748	C6	C9	H7	113.089
C6	C9	H8	110.940	C6	C9	C14	105.179
H7	C9	H8	108.079	H7	C9	C14	110.356
H8	C9	C14	109.142	C9	C14	C12	103.571
C9	C14	H13	112.905	C9	C14	O16	105.922
H10	C12	H11	107.743	H10	C12	C14	109.167
H11	C12	C14	112.894	C12	C14	H13	113.568
C12	C14	O16	110.526	H13	C14	O16	109.950
C14	O16	H15	106.888

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/CEP-121G*

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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All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)