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	hartrees
Energy at 0K	-270.928046
Energy at 298.15K	-270.940215
HF Energy	-270.033714
Nuclear repulsion energy	254.726631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3635	20.16
2	A	3219	3014	58.40
3	A	3208	3004	12.37
4	A	3197	2994	4.36
5	A	3188	2986	22.93
6	A	3153	2953	29.03
7	A	3143	2944	31.23
8	A	3141	2941	18.80
9	A	3129	2930	24.67
10	A	3060	2865	48.45
11	A	1576	1476	1.77
12	A	1553	1454	4.59
13	A	1549	1450	1.76
14	A	1537	1439	0.47
15	A	1471	1378	4.66
16	A	1422	1332	27.17
17	A	1377	1289	0.10
18	A	1366	1279	0.38
19	A	1357	1271	5.51
20	A	1331	1247	2.58
21	A	1310	1227	19.35
22	A	1294	1211	0.88
23	A	1246	1166	27.61
24	A	1230	1152	0.69
25	A	1220	1142	5.03
26	A	1144	1071	41.19
27	A	1112	1041	50.77
28	A	1088	1019	7.38
29	A	1011	947	1.27
30	A	999	935	6.05
31	A	983	921	3.89
32	A	930	871	0.07
33	A	913	855	0.13
34	A	842	789	0.72
35	A	784	734	1.50
36	A	630	590	0.42
37	A	548	514	5.51
38	A	483	452	8.48
39	A	363	340	19.33
40	A	304	285	113.75
41	A	189	177	1.10
42	A	36	33	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.164	1.252	-0.628
H2	-1.755	1.121	1.070
C3	-1.468	0.789	0.071
H4	-2.079	-1.118	-0.848
H5	-1.948	-1.180	0.895
C6	-1.491	-0.762	-0.002
H7	0.255	-1.362	-1.171
H8	0.215	-2.108	0.424
C9	-0.019	-1.198	-0.127
H10	0.266	2.144	0.220
H11	0.182	1.219	-1.284
C12	-0.014	1.181	-0.210
H13	0.754	0.048	1.454
C14	0.779	0.005	0.356
H15	2.598	0.671	0.223
O16	2.120	-0.097	-0.111

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7516	1.0893	2.3808	2.8778	2.2139	3.6022	4.2491	3.2944	2.7242	2.4362	2.1917	3.7814	3.3442	4.8728	4.5209
H2	1.7516		1.0911	2.9658	2.3166	2.1836	3.9022	3.8379	3.1347	2.4191	3.0500	2.1618	2.7558	2.8598	4.4578	4.2301
C3	1.0893	1.0911		2.2030	2.1884	1.5537	3.0230	3.3695	2.4676	2.2057	2.1780	1.5321	2.7203	2.3972	4.0712	3.7004
H4	2.3808	2.9658	2.2030		1.7489	1.0894	2.3689	2.8036	2.1839	4.1567	3.2807	3.1551	3.8316	3.2979	5.1210	4.3833
H5	2.8778	2.3166	2.1884	1.7489		1.0901	3.0254	2.4002	2.1828	4.0507	3.8784	3.2461	3.0200	3.0219	4.9545	4.3279
C6	2.2139	2.1836	1.5537	1.0894	1.0901		2.1849	2.2143	1.5401	3.4036	2.8929	2.4498	2.7958	2.4228	4.3392	3.6732
H7	3.6022	3.9022	3.0230	2.3689	3.0254	2.1849		1.7610	1.0917	3.7717	2.5844	2.7313	3.0207	2.1147	3.4010	2.4898
H8	4.2491	3.8379	3.3695	2.8036	2.4002	2.2143	1.7610		1.0891	4.2574	3.7401	3.3573	2.4495	2.1882	3.6666	2.8209
C9	3.2944	3.1347	2.4676	2.1839	2.1828	1.5401	1.0917	1.0891		3.3722	2.6875	2.3804	2.1561	1.5222	3.2353	2.4056
H10	2.7242	2.4191	2.2057	4.1567	4.0507	3.4036	3.7717	4.2574	3.3722		1.7678	1.0914	2.4808	2.2039	2.7587	2.9274
H11	2.4362	3.0500	2.1780	3.2807	3.8784	2.8929	2.5844	3.7401	2.6875	1.7678		1.0924	3.0324	2.1257	2.9003	2.6199
C12	2.1917	2.1618	1.5321	3.1551	3.2461	2.4498	2.7313	3.3573	2.3804	1.0914	1.0924		2.1544	1.5267	2.6966	2.4891
H13	3.7814	2.7558	2.7203	3.8316	3.0200	2.7958	3.0207	2.4495	2.1561	2.4808	3.0324	2.1544		1.0995	2.3032	2.0822
C14	3.3442	2.8598	2.3972	3.2979	3.0219	2.4228	2.1147	2.1882	1.5222	2.2039	2.1257	1.5267	1.0995		1.9419	1.4233
H15	4.8728	4.4578	4.0712	5.1210	4.9545	4.3392	3.4010	3.6666	3.2353	2.7587	2.9003	2.6966	2.3032	1.9419		0.9649
O16	4.5209	4.2301	3.7004	4.3833	4.3279	3.6732	2.4898	2.8209	2.4056	2.9274	2.6199	2.4891	2.0822	1.4233	0.9649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.892	H1	C3	C6	112.598
H1	C3	C12	112.352	H2	C3	C6	110.075
H2	C3	C12	109.847	C3	C6	H4	111.717
C3	C6	H5	110.513	C3	C6	C9	105.802
C3	C12	H10	113.366	C3	C12	H11	111.059
C3	C12	C14	103.196	H4	C6	H5	106.719
H4	C6	C9	111.146	H5	C6	C9	111.017
C6	C3	C12	105.101	C6	C9	H7	111.088
C6	C9	H8	113.636	C6	C9	C14	104.589
H7	C9	H8	107.707	H7	C9	C14	106.846
H8	C9	C14	112.803	C9	C14	C12	102.654
C9	C14	H13	109.593	C9	C14	O16	109.467
H10	C12	H11	108.096	H10	C12	C14	113.615
H11	C12	C14	107.344	C12	C14	H13	109.154
C12	C14	O16	115.033	H13	C14	O16	110.597
C14	O16	H15	107.250

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/6-31G**

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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All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)