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	hartrees
Energy at 0K	-270.915803
Energy at 298.15K	-270.927990
HF Energy	-270.013230
Nuclear repulsion energy	254.264868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3813	3577	18.86
2	A	3180	2984	63.87
3	A	3170	2974	14.14
4	A	3157	2963	3.29
5	A	3150	2955	30.77
6	A	3126	2933	26.47
7	A	3117	2924	27.48
8	A	3113	2921	21.25
9	A	3103	2912	24.77
10	A	3038	2851	46.52
11	A	1588	1490	2.47
12	A	1564	1468	5.98
13	A	1561	1465	3.19
14	A	1549	1453	0.86
15	A	1493	1401	3.46
16	A	1439	1350	36.55
17	A	1387	1301	0.25
18	A	1379	1294	0.79
19	A	1368	1283	10.90
20	A	1343	1260	5.28
21	A	1324	1242	22.15
22	A	1300	1220	0.72
23	A	1262	1184	28.12
24	A	1240	1164	0.45
25	A	1232	1156	4.43
26	A	1163	1091	52.67
27	A	1124	1055	33.72
28	A	1095	1028	2.58
29	A	1018	955	1.67
30	A	1006	944	3.22
31	A	990	929	6.10
32	A	933	875	0.11
33	A	915	858	0.16
34	A	848	796	0.66
35	A	788	740	2.04
36	A	641	601	0.40
37	A	554	520	5.37
38	A	488	458	9.08
39	A	366	344	19.86
40	A	304	285	121.71
41	A	187	176	1.19
42	A	38	36	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-2.154	1.241	-0.670
H2	-1.792	1.139	1.047
C3	-1.474	0.791	0.059
H4	-2.091	-1.134	-0.833
H5	-1.940	-1.175	0.915
C6	-1.492	-0.765	0.005
H7	0.252	-1.367	-1.178
H8	0.219	-2.114	0.423
C9	-0.018	-1.200	-0.129
H10	0.262	2.145	0.261
H11	0.200	1.253	-1.270
C12	-0.011	1.187	-0.196
H13	0.764	0.033	1.458
C14	0.785	0.002	0.356
H15	2.614	0.659	0.226
O16	2.116	-0.095	-0.118

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7578	1.0938	2.3814	2.8975	2.2174	3.5851	4.2525	3.2888	2.7429	2.4293	2.1958	3.8080	3.3504	4.8869	4.5084
H2	1.7578		1.0953	2.9650	2.3221	2.1912	3.9258	3.8750	3.1628	2.4189	3.0577	2.1726	2.8147	2.9002	4.5079	4.2605
C3	1.0938	1.0953		2.2091	2.1942	1.5566	3.0275	3.3818	2.4737	2.2113	2.1863	1.5369	2.7457	2.4109	4.0939	3.7018
H4	2.3814	2.9650	2.2091		1.7558	1.0938	2.3795	2.8057	2.1898	4.1814	3.3364	3.1806	3.8419	3.3121	5.1454	4.3918
H5	2.8975	2.3221	2.1942	1.7558		1.0945	3.0372	2.4049	2.1874	4.0371	3.9047	3.2454	3.0104	3.0200	4.9578	4.3224
C6	2.2174	2.1912	1.5566	1.0938	1.0945		2.1920	2.2189	1.5429	3.4075	2.9254	2.4583	2.7999	2.4280	4.3523	3.6720
H7	3.5851	3.9258	3.0275	2.3795	3.0372	2.1920		1.7671	1.0958	3.7955	2.6222	2.7489	3.0287	2.1235	3.4145	2.4936
H8	4.2525	3.8750	3.3818	2.8057	2.4049	2.2189	1.7671		1.0938	4.2625	3.7688	3.3664	2.4457	2.1914	3.6703	2.8233
C9	3.2888	3.1628	2.4737	2.1898	2.1874	1.5429	1.0958	1.0938		3.3796	2.7142	2.3881	2.1571	1.5246	3.2427	2.4036
H10	2.7429	2.4189	2.2113	4.1814	4.0371	3.4075	3.7955	4.2625	3.3796		1.7730	1.0961	2.4784	2.2080	2.7821	2.9317
H11	2.4293	3.0577	2.1863	3.3364	3.9047	2.9254	2.6222	3.7688	2.7142	1.7730		1.0965	3.0410	2.1331	2.9021	2.6109
C12	2.1958	2.1726	1.5369	3.1806	3.2454	2.4583	2.7489	3.3664	2.3881	1.0961	1.0965		2.1602	1.5303	2.7109	2.4844
H13	3.8080	2.8147	2.7457	3.8419	3.0104	2.7999	3.0287	2.4457	2.1571	2.4784	3.0410	2.1602		1.1032	2.3097	2.0803
C14	3.3504	2.9002	2.4109	3.3121	3.0200	2.4280	2.1235	2.1914	1.5246	2.2080	2.1331	1.5303	1.1032		1.9486	1.4162
H15	4.8869	4.5079	4.0939	5.1454	4.9578	4.3523	3.4145	3.6703	3.2427	2.7821	2.9021	2.7109	2.3097	1.9486		0.9670
O16	4.5084	4.2605	3.7018	4.3918	4.3224	3.6720	2.4936	2.8233	2.4036	2.9317	2.6109	2.4844	2.0803	1.4162	0.9670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.833	H1	C3	C6	112.398
H1	C3	C12	112.064	H2	C3	C6	110.219
H2	C3	C12	110.125	C3	C6	H4	111.729
C3	C6	H5	110.499	C3	C6	C9	105.894
C3	C12	H10	113.177	C3	C12	H11	111.140
C3	C12	C14	103.630	H4	C6	H5	106.713
H4	C6	C9	111.156	H5	C6	C9	110.919
C6	C3	C12	105.245	C6	C9	H7	111.205
C6	C9	H8	113.508	C6	C9	C14	104.654
H7	C9	H8	107.610	H7	C9	C14	107.129
H8	C9	C14	112.597	C9	C14	C12	102.837
C9	C14	H13	109.299	C9	C14	O16	109.582
H10	C12	H11	107.925	H10	C12	C14	113.393
H11	C12	C14	107.447	C12	C14	H13	109.146
C12	C14	O16	114.905	H13	C14	O16	110.714
C14	O16	H15	108.224

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)