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	hartrees
Energy at 0K	-270.953120
Energy at 298.15K	-270.965271
HF Energy	-270.067226
Nuclear repulsion energy	254.510851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3837	3646	18.29
2	A	3168	3010	60.27
3	A	3154	2997	13.49
4	A	3142	2986	9.51
5	A	3135	2979	26.61
6	A	3106	2951	29.49
7	A	3096	2942	31.83
8	A	3087	2934	24.40
9	A	3077	2924	28.77
10	A	3022	2872	48.77
11	A	1562	1484	4.10
12	A	1537	1461	8.72
13	A	1532	1456	2.82
14	A	1523	1447	3.13
15	A	1465	1392	2.44
16	A	1408	1338	32.94
17	A	1366	1298	0.00
18	A	1347	1280	11.61
19	A	1341	1275	5.08
20	A	1320	1255	6.65
21	A	1300	1235	14.84
22	A	1287	1223	8.84
23	A	1233	1172	18.86
24	A	1225	1164	7.08
25	A	1216	1155	4.31
26	A	1138	1081	45.63
27	A	1113	1057	39.91
28	A	1076	1023	5.47
29	A	1012	962	0.70
30	A	990	941	10.90
31	A	972	924	4.96
32	A	923	877	0.32
33	A	905	860	0.04
34	A	837	795	1.74
35	A	784	745	1.53
36	A	616	586	0.73
37	A	547	520	5.82
38	A	479	456	8.89
39	A	368	350	27.24
40	A	292	278	122.78
41	A	199	189	0.54
42	A	35	33	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.168	1.259	-0.619
H2	-1.752	1.115	1.083
C3	-1.468	0.790	0.076
H4	-2.062	-1.104	-0.882
H5	-1.972	-1.193	0.869
C6	-1.492	-0.762	-0.014
H7	0.274	-1.388	-1.154
H8	0.211	-2.102	0.460
C9	-0.016	-1.201	-0.115
H10	0.268	2.146	0.225
H11	0.184	1.222	-1.288
C12	-0.013	1.181	-0.210
H13	0.768	0.057	1.460
C14	0.781	0.007	0.358
H15	2.596	0.672	0.204
O16	2.113	-0.097	-0.116

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7578	1.0930	2.3801	2.8751	2.2159	3.6410	4.2566	3.3068	2.7265	2.4454	2.1946	3.7930	3.3496	4.8700	4.5191
H2	1.7578		1.0947	2.9793	2.3279	2.1894	3.9205	3.8188	3.1316	2.4249	3.0621	2.1676	2.7586	2.8576	4.4577	4.2244
C3	1.0930	1.0947		2.2041	2.1940	1.5551	3.0482	3.3654	2.4710	2.2079	2.1853	1.5333	2.7293	2.3977	4.0673	3.6944
H4	2.3801	2.9793	2.2041		1.7551	1.0929	2.3690	2.8217	2.1870	4.1495	3.2586	3.1416	3.8522	3.2945	5.1016	4.3630
H5	2.8751	2.3279	2.1940	1.7551		1.0935	3.0290	2.3993	2.1893	4.0722	3.8896	3.2614	3.0690	3.0459	4.9782	4.3431
C6	2.2159	2.1894	1.5551	1.0929	1.0935		2.1930	2.2175	1.5426	3.4080	2.8925	2.4497	2.8196	2.4280	4.3372	3.6676
H7	3.6410	3.9205	3.0482	2.3690	3.0290	2.1930		1.7663	1.0951	3.7938	2.6146	2.7520	3.0276	2.1192	3.3878	2.4757
H8	4.2566	3.8188	3.3654	2.8217	2.3993	2.2175	1.7663		1.0929	4.2548	3.7550	3.3578	2.4433	2.1865	3.6666	2.8235
C9	3.3068	3.1316	2.4710	2.1870	2.1893	1.5426	1.0951	1.0929		3.3760	2.6986	2.3835	2.1626	1.5222	3.2293	2.3987
H10	2.7265	2.4249	2.2079	4.1495	4.0722	3.4080	3.7938	4.2548	3.3760		1.7747	1.0955	2.4778	2.2041	2.7558	2.9245
H11	2.4454	3.0621	2.1853	3.2586	3.8896	2.8925	2.6146	3.7550	2.6986	1.7747		1.0961	3.0407	2.1311	2.8887	2.6140
C12	2.1946	2.1676	1.5333	3.1416	3.2614	2.4497	2.7520	3.3578	2.3835	1.0955	1.0961		2.1592	1.5273	2.6904	2.4827
H13	3.7930	2.7586	2.7293	3.8522	3.0690	2.8196	3.0276	2.4433	2.1626	2.4778	3.0407	2.1592		1.1026	2.3014	2.0780
C14	3.3496	2.8576	2.3977	3.2945	3.0459	2.4280	2.1192	2.1865	1.5222	2.2041	2.1311	1.5273	1.1026		1.9391	1.4185
H15	4.8700	4.4577	4.0673	5.1016	4.9782	4.3372	3.3878	3.6666	3.2293	2.7558	2.8887	2.6904	2.3014	1.9391		0.9618
O16	4.5191	4.2244	3.6944	4.3630	4.3431	3.6676	2.4757	2.8235	2.3987	2.9245	2.6140	2.4827	2.0780	1.4185	0.9618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.938	H1	C3	C6	112.436
H1	C3	C12	112.285	H2	C3	C6	110.222
H2	C3	C12	110.023	C3	C6	H4	111.490
C3	C6	H5	110.658	C3	C6	C9	105.820
C3	C12	H10	113.209	C3	C12	H11	111.343
C3	C12	C14	103.148	H4	C6	H5	106.780
H4	C6	C9	111.005	H5	C6	C9	111.161
C6	C3	C12	104.972	C6	C9	H7	111.352
C6	C9	H8	113.480	C6	C9	C14	104.783
H7	C9	H8	107.663	H7	C9	C14	106.995
H8	C9	C14	112.424	C9	C14	C12	102.813
C9	C14	H13	109.927	C9	C14	O16	109.265
H10	C12	H11	108.146	H10	C12	C14	113.333
H11	C12	C14	107.519	C12	C14	H13	109.314
C12	C14	O16	114.828	H13	C14	O16	110.403
C14	O16	H15	107.556

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)