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	hartrees
Energy at 0K	-271.053944
Energy at 298.15K	-271.066078
HF Energy	-270.109097
Nuclear repulsion energy	254.815866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3850	3650	26.22
2	A	3175	3009	63.31
3	A	3165	3000	16.42
4	A	3154	2989	3.85
5	A	3142	2978	20.53
6	A	3111	2949	37.47
7	A	3100	2938	27.19
8	A	3096	2934	23.73
9	A	3087	2926	26.35
10	A	3032	2874	41.34
11	A	1540	1460	3.14
12	A	1516	1437	5.03
13	A	1512	1434	4.12
14	A	1499	1421	0.19
15	A	1449	1373	3.58
16	A	1401	1328	25.39
17	A	1360	1289	0.60
18	A	1353	1282	1.00
19	A	1342	1272	1.19
20	A	1308	1240	16.27
21	A	1302	1235	2.62
22	A	1259	1194	0.57
23	A	1242	1178	27.64
24	A	1217	1153	0.95
25	A	1211	1148	0.28
26	A	1124	1065	49.64
27	A	1096	1039	48.21
28	A	1073	1017	6.93
29	A	1003	950	0.95
30	A	995	943	1.26
31	A	973	923	7.39
32	A	921	873	0.43
33	A	903	856	0.26
34	A	835	792	0.24
35	A	775	734	1.29
36	A	623	591	0.10
37	A	544	516	5.35
38	A	481	456	6.90
39	A	364	345	19.69
40	A	294	279	108.12
41	A	187	177	1.52
42	A	30	28	0.66

Atom	x (Å)	y (Å)	z (Å)
H1	-2.036	1.051	-0.894
H2	-1.935	1.268	0.866
C3	-1.479	0.786	-0.001
H4	-2.265	-1.264	-0.346
H5	-1.512	-0.993	1.239
C6	-1.454	-0.756	0.173
H7	0.015	-1.064	-1.388
H8	0.229	-2.163	0.002
C9	-0.060	-1.158	-0.306
H10	0.297	2.123	0.288
H11	0.218	1.244	-1.250
C12	0.010	1.180	-0.180
H13	0.660	-0.117	1.412
C14	0.763	-0.045	0.330
H15	2.568	0.657	0.383
O16	2.136	-0.098	-0.051

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7759	1.0852	2.3895	3.0000	2.1777	2.9872	4.0328	3.0217	2.8266	2.2900	2.1707	3.7346	3.2462	4.7939	4.4084
H2	1.7759		1.0916	2.8262	2.3297	2.1929	3.7839	4.1469	3.2821	2.4589	3.0183	2.2094	2.9910	3.0481	4.5692	4.3902
C3	1.0852	1.0916		2.2214	2.1681	1.5516	2.7525	3.4075	2.4258	2.2424	2.1563	1.5506	2.7177	2.4145	4.0673	3.7217
H4	2.3895	2.8262	2.2214		1.7758	1.0882	2.5139	2.6737	2.2072	4.2935	3.6421	3.3419	3.5998	3.3334	5.2508	4.5614
H5	3.0000	2.3297	2.1681	1.7758		1.0940	3.0397	2.4354	2.1268	3.7265	3.7669	3.0079	2.3484	2.6275	4.4834	3.9715
C6	2.1777	2.1929	1.5516	1.0882	1.0940		2.1650	2.2000	1.5274	3.3719	2.9694	2.4520	2.5322	2.3339	4.2678	3.6562
H7	2.9872	3.7839	2.7525	2.5139	3.0397	2.1650		1.7853	1.0889	3.6119	2.3207	2.5480	3.0254	2.1332	3.5518	2.6866
H8	4.0328	4.1469	3.4075	2.6737	2.4354	2.2000	1.7853		1.0900	4.2959	3.6294	3.3543	2.5214	2.2083	3.6828	2.8107
C9	3.0217	3.2821	2.4258	2.2072	2.1268	1.5274	1.0889	1.0900		3.3536	2.5956	2.3420	2.1339	1.5237	3.2672	2.4516
H10	2.8266	2.4589	2.2424	4.2935	3.7265	3.3719	3.6119	4.2959	3.3536		1.7731	1.0917	2.5321	2.2183	2.7046	2.9032
H11	2.2900	3.0183	2.1563	3.6421	3.7669	2.9694	2.3207	3.6294	2.5956	1.7731		1.0921	3.0216	2.1107	2.9210	2.6296
C12	2.1707	2.2094	1.5506	3.3419	3.0079	2.4520	2.5480	3.3543	2.3420	1.0917	1.0921		2.1530	1.5257	2.6708	2.4835
H13	3.7346	2.9910	2.7177	3.5998	2.3484	2.5322	3.0254	2.5214	2.1339	2.5321	3.0216	2.1530		1.0891	2.3016	2.0782
C14	3.2462	3.0481	2.4145	3.3334	2.6275	2.3339	2.1332	2.2083	1.5237	2.2183	2.1107	1.5257	1.0891		1.9367	1.4251
H15	4.7939	4.5692	4.0673	5.2508	4.4834	4.2678	3.5518	3.6828	3.2672	2.7046	2.9210	2.6708	2.3016	1.9367		0.9722
O16	4.4084	4.3902	3.7217	4.5614	3.9715	3.6562	2.6866	2.8107	2.4516	2.9032	2.6296	2.4835	2.0782	1.4251	0.9722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	109.342	H1	C3	C6	110.100
H1	C3	C12	109.619	H2	C3	C6	110.922
H2	C3	C12	112.317	C3	C6	H4	113.438
C3	C6	H5	108.839	C3	C6	C9	103.969
C3	C12	H10	115.030	C3	C12	H11	108.114
C3	C12	C14	103.419	H4	C6	H5	108.935
H4	C6	C9	114.052	H5	C6	C9	107.297
C6	C3	C12	104.451	C6	C9	H7	110.573
C6	C9	H8	113.338	C6	C9	C14	99.805
H7	C9	H8	110.046	H7	C9	C14	108.325
H8	C9	C14	114.300	C9	C14	C12	100.351
C9	C14	H13	108.370	C9	C14	O16	112.440
H10	C12	H11	108.574	H10	C12	C14	114.877
H11	C12	C14	106.292	C12	C14	H13	109.726
C12	C14	O16	114.590	H13	C14	O16	110.796
C14	O16	H15	106.241

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)