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	hartrees
Energy at 0K	-49.413217
Energy at 298.15K	-49.425352
HF Energy	-48.843867
Nuclear repulsion energy	141.300838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3522	7.56
2	A	3087	3013	78.41
3	A	3075	3001	19.25
4	A	3051	2978	7.50
5	A	3041	2968	29.70
6	A	3019	2947	53.56
7	A	3004	2932	105.41
8	A	2996	2924	60.63
9	A	2984	2912	13.65
10	A	2971	2899	25.89
11	A	1533	1497	2.36
12	A	1516	1479	4.13
13	A	1508	1472	1.39
14	A	1501	1465	6.77
15	A	1399	1365	4.04
16	A	1387	1354	2.65
17	A	1384	1351	2.26
18	A	1342	1310	1.93
19	A	1341	1309	0.81
20	A	1309	1278	20.02
21	A	1275	1244	0.63
22	A	1228	1198	0.24
23	A	1195	1166	5.61
24	A	1187	1159	16.29
25	A	1174	1146	27.57
26	A	1077	1051	4.55
27	A	1063	1038	14.76
28	A	1033	1008	2.04
29	A	983	959	18.33
30	A	941	918	21.44
31	A	904	882	7.50
32	A	878	857	7.98
33	A	854	833	1.20
34	A	832	812	10.41
35	A	768	750	0.70
36	A	729	711	9.83
37	A	611	596	2.57
38	A	392	382	8.51
39	A	374	365	16.25
40	A	289	282	159.83
41	A	189	184	1.66
42	A	55	54	0.44

Atom	x (Å)	y (Å)	z (Å)
H1	-0.769	1.164	-1.424
H2	-2.016	1.530	-0.194
C3	-1.123	0.920	-0.409
H4	-1.622	-1.068	-1.292
H5	-2.326	-0.801	0.325
C6	-1.430	-0.629	-0.299
H7	0.285	-2.083	-0.246
H8	-0.401	-1.710	1.366
C9	-0.155	-1.287	0.376
H10	-0.384	1.259	1.651
H11	0.622	2.076	0.413
C12	0.030	1.168	0.628
H13	1.574	-0.282	1.380
C14	0.880	-0.135	0.534
H15	2.263	0.635	-0.784
O16	1.661	-0.144	-0.752

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7899	1.1024	2.3935	3.0567	2.2175	3.6114	4.0231	3.1027	3.1008	2.4787	2.2029	3.9304	2.8704	3.1443	2.8405
H2	1.7899		1.1035	2.8487	2.4081	2.2396	4.2843	3.9429	3.4248	2.4782	2.7621	2.2354	4.3192	3.4190	4.4122	4.0792
C3	1.1024	1.1035		2.2319	2.2241	1.5825	3.3203	3.2544	2.5346	2.2147	2.2490	1.5709	3.4527	2.4518	3.4189	3.0000
H4	2.3935	2.8487	2.2319		1.7835	1.1026	2.3999	2.9949	2.2317	3.9508	4.2224	3.3788	4.2396	3.2342	4.2726	3.4529
H5	3.0567	2.4081	2.2241	1.7835		1.1050	2.9645	2.3705	2.2256	3.1260	4.1200	3.0853	4.0739	3.2807	4.9350	4.1819
C6	2.2175	2.2396	1.5825	1.1026	1.1050		2.2496	2.2370	1.5863	2.9086	3.4690	2.4940	3.4596	2.5046	3.9341	3.1619
H7	3.6114	4.2843	3.3203	2.3999	2.9645	2.2496		1.7914	1.1013	3.9004	4.2237	3.3755	2.7476	2.1804	3.4044	2.4306
H8	4.0231	3.9429	3.2544	2.9949	2.3705	2.2370	1.7914		1.1050	2.9827	4.0357	3.0020	2.4374	2.1941	4.1501	3.3457
C9	3.1027	3.4248	2.5346	2.2317	2.2256	1.5863	1.1013	1.1050		2.8569	3.4517	2.4747	2.2383	1.5564	3.2998	2.4242
H10	3.1008	2.4782	2.2147	3.9508	3.1260	2.9086	3.9004	2.9827	2.8569		1.7923	1.1072	2.5066	2.1884	3.6509	3.4538
H11	2.4787	2.7621	2.2490	4.2224	4.1200	3.4690	4.2237	4.0357	3.4517	1.7923		1.1051	2.7201	2.2288	2.4903	2.7138
C12	2.2029	2.2354	1.5709	3.3788	3.0853	2.4940	3.3755	3.0020	2.4747	1.1072	1.1051		2.2473	1.5579	2.6955	2.5073
H13	3.9304	4.3192	3.4527	4.2396	4.0739	3.4596	2.7476	2.4374	2.2383	2.5066	2.7201	2.2473		1.1051	2.4495	2.1390
C14	2.8704	3.4190	2.4518	3.2342	3.2807	2.5046	2.1804	2.1941	1.5564	2.1884	2.2288	1.5579	1.1051		2.0602	1.5049
H15	3.1443	4.4122	3.4189	4.2726	4.9350	3.9341	3.4044	4.1501	3.2998	3.6509	2.4903	2.6955	2.4495	2.0602		0.9855
O16	2.8405	4.0792	3.0000	3.4529	4.1819	3.1619	2.4306	3.3457	2.4242	3.4538	2.7138	2.5073	2.1390	1.5049	0.9855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	108.473	H1	C3	C6	110.074
H1	C3	C12	109.737	H2	C3	C6	111.743
H2	C3	C12	112.231	C3	C6	H4	111.186
C3	C6	H5	110.438	C3	C6	C9	106.234
C3	C12	H10	110.378	C3	C12	H11	113.225
C3	C12	C14	103.184	H4	C6	H5	107.790
H4	C6	C9	110.916	H5	C6	C9	110.303
C6	C3	C12	104.541	C6	C9	H7	112.403
C6	C9	H8	111.186	C6	C9	C14	105.677
H7	C9	H8	108.576	H7	C9	C14	109.050
H8	C9	C14	109.895	C9	C14	C12	105.239
C9	C14	H13	113.402	C9	C14	O16	104.714
H10	C12	H11	108.217	H10	C12	C14	109.223
H11	C12	C14	112.524	C12	C14	H13	114.025
C12	C14	O16	109.885	H13	C14	O16	109.121
C14	O16	H15	109.879

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)