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	hartrees
Energy at 0K	-270.870666
Energy at 298.15K	-270.882845
HF Energy	-270.012842
Nuclear repulsion energy	254.587761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3546	22.31
2	A	3190	3006	55.03
3	A	3179	2996	11.43
4	A	3168	2985	3.42
5	A	3159	2977	23.04
6	A	3128	2948	27.76
7	A	3119	2939	26.39
8	A	3117	2937	18.51
9	A	3105	2926	23.22
10	A	3038	2863	46.86
11	A	1585	1493	2.26
12	A	1562	1471	6.19
13	A	1558	1468	2.86
14	A	1546	1456	0.98
15	A	1477	1392	3.69
16	A	1426	1344	29.42
17	A	1379	1300	0.04
18	A	1370	1291	0.90
19	A	1360	1281	7.43
20	A	1335	1258	2.94
21	A	1317	1241	20.44
22	A	1295	1220	0.90
23	A	1251	1179	28.04
24	A	1234	1163	0.32
25	A	1225	1154	4.48
26	A	1144	1078	37.43
27	A	1116	1051	51.54
28	A	1093	1030	7.99
29	A	1017	958	1.67
30	A	1004	946	4.69
31	A	990	933	5.68
32	A	934	880	0.13
33	A	915	862	0.12
34	A	848	799	0.67
35	A	789	744	2.27
36	A	634	598	0.48
37	A	550	518	5.41
38	A	489	460	8.88
39	A	364	343	22.58
40	A	310	292	118.11
41	A	191	180	1.28
42	A	37	35	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	-2.160	1.245	-0.650
H2	-1.772	1.133	1.059
C3	-1.469	0.789	0.064
H4	-2.092	-1.131	-0.830
H5	-1.933	-1.176	0.916
C6	-1.489	-0.763	0.005
H7	0.251	-1.349	-1.184
H8	0.222	-2.115	0.407
C9	-0.019	-1.196	-0.134
H10	0.266	2.146	0.233
H11	0.192	1.227	-1.281
C12	-0.013	1.181	-0.205
H13	0.755	0.039	1.459
C14	0.777	0.003	0.357
H15	2.601	0.678	0.224
O16	2.119	-0.098	-0.110

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7559	1.0934	2.3836	2.8925	2.2166	3.5818	4.2520	3.2873	2.7341	2.4353	2.1936	3.7945	3.3440	4.8734	4.5169
H2	1.7559		1.0948	2.9656	2.3193	2.1878	3.9097	3.8665	3.1492	2.4203	3.0561	2.1665	2.7824	2.8753	4.4748	4.2448
C3	1.0934	1.0948		2.2074	2.1914	1.5537	3.0152	3.3778	2.4660	2.2091	2.1824	1.5323	2.7302	2.3978	4.0748	3.7002
H4	2.3836	2.9656	2.2074		1.7537	1.0933	2.3800	2.8021	2.1875	4.1744	3.3139	3.1715	3.8354	3.3053	5.1383	4.3948
H5	2.8925	2.3193	2.1914	1.7537		1.0940	3.0356	2.4055	2.1835	4.0420	3.8888	3.2408	2.9997	3.0085	4.9472	4.3170
C6	2.2166	2.1878	1.5537	1.0933	1.0940		2.1883	2.2173	1.5389	3.4054	2.9063	2.4508	2.7917	2.4184	4.3422	3.6709
H7	3.5818	3.9097	3.0152	2.3800	3.0356	2.1883		1.7659	1.0955	3.7717	2.5791	2.7259	3.0275	2.1164	3.4074	2.4912
H8	4.2520	3.8665	3.3778	2.8021	2.4055	2.2173	1.7659		1.0933	4.2645	3.7443	3.3605	2.4554	2.1900	3.6728	2.8165
C9	3.2873	3.1492	2.4660	2.1875	2.1835	1.5389	1.0955	1.0933		3.3738	2.6892	2.3779	2.1587	1.5204	3.2405	2.4033
H10	2.7341	2.4203	2.2091	4.1744	4.0420	3.4054	3.7717	4.2645	3.3738		1.7725	1.0957	2.4861	2.2065	2.7585	2.9304
H11	2.4353	3.0561	2.1824	3.3139	3.8888	2.9063	2.5791	3.7443	2.6892	1.7725		1.0961	3.0389	2.1267	2.8927	2.6151
C12	2.1936	2.1665	1.5323	3.1715	3.2408	2.4508	2.7259	3.3605	2.3779	1.0957	1.0961		2.1593	1.5256	2.6960	2.4877
H13	3.7945	2.7824	2.7302	3.8354	2.9997	2.7917	3.0275	2.4554	2.1587	2.4861	3.0389	2.1593		1.1030	2.3109	2.0834
C14	3.3440	2.8753	2.3978	3.3053	3.0085	2.4184	2.1164	2.1900	1.5204	2.2065	2.1267	1.5256	1.1030		1.9489	1.4241
H15	4.8734	4.4748	4.0748	5.1383	4.9472	4.3422	3.4074	3.6728	3.2405	2.7585	2.8927	2.6960	2.3109	1.9489		0.9723
O16	4.5169	4.2448	3.7002	4.3948	4.3170	3.6709	2.4912	2.8165	2.4033	2.9304	2.6151	2.4877	2.0834	1.4241	0.9723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.731	H1	C3	C6	112.568
H1	C3	C12	112.246	H2	C3	C6	110.190
H2	C3	C12	109.993	C3	C6	H4	111.833
C3	C6	H5	110.516	C3	C6	C9	105.764
C3	C12	H10	113.357	C3	C12	H11	111.179
C3	C12	C14	103.283	H4	C6	H5	106.594
H4	C6	C9	111.287	H5	C6	C9	110.924
C6	C3	C12	105.152	C6	C9	H7	111.222
C6	C9	H8	113.711	C6	C9	C14	104.464
H7	C9	H8	107.575	H7	C9	C14	106.886
H8	C9	C14	112.819	C9	C14	C12	102.644
C9	C14	H13	109.720	C9	C14	O16	109.372
H10	C12	H11	107.939	H10	C12	C14	113.643
H11	C12	C14	107.289	C12	C14	H13	109.415
C12	C14	O16	114.954	H13	C14	O16	110.417
C14	O16	H15	107.326

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

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

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)