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	hartrees
Energy at 0K	-271.021696
Energy at 298.15K	-271.033831
HF Energy	-270.040487
Nuclear repulsion energy	254.483508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3946	3676	27.31
2	A	3213	2994	71.11
3	A	3202	2983	16.06
4	A	3189	2971	6.38
5	A	3182	2965	35.39
6	A	3156	2940	33.46
7	A	3145	2930	35.92
8	A	3139	2924	25.56
9	A	3130	2916	29.88
10	A	3078	2867	43.74
11	A	1578	1470	2.32
12	A	1553	1447	4.91
13	A	1550	1444	2.82
14	A	1538	1433	0.55
15	A	1474	1373	6.82
16	A	1430	1332	26.91
17	A	1385	1291	0.04
18	A	1374	1280	0.57
19	A	1361	1268	5.68
20	A	1340	1248	3.38
21	A	1305	1216	20.90
22	A	1300	1211	0.47
23	A	1249	1164	26.36
24	A	1236	1152	0.52
25	A	1224	1140	5.62
26	A	1151	1073	60.21
27	A	1117	1041	33.53
28	A	1086	1012	4.86
29	A	1015	945	0.49
30	A	1000	931	5.69
31	A	983	916	5.81
32	A	929	865	0.10
33	A	910	848	0.10
34	A	844	787	0.93
35	A	787	733	0.97
36	A	637	593	0.36
37	A	552	514	5.66
38	A	481	448	7.59
39	A	367	342	16.57
40	A	267	248	127.01
41	A	189	176	1.88
42	A	30	28	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.150	1.241	-0.662
H2	-1.785	1.138	1.046
C3	-1.473	0.792	0.061
H4	-2.090	-1.128	-0.829
H5	-1.938	-1.172	0.912
C6	-1.494	-0.763	0.005
H7	0.246	-1.368	-1.176
H8	0.212	-2.109	0.420
C9	-0.021	-1.201	-0.131
H10	0.263	2.138	0.258
H11	0.195	1.253	-1.268
C12	-0.011	1.186	-0.198
H13	0.766	0.032	1.450
C14	0.783	0.000	0.354
H15	2.626	0.649	0.219
O16	2.118	-0.095	-0.114

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7499	1.0880	2.3759	2.8885	2.2122	3.5791	4.2400	3.2830	2.7338	2.4224	2.1902	3.7982	3.3428	4.8926	4.5060
H2	1.7499		1.0900	2.9570	2.3183	2.1871	3.9165	3.8635	3.1572	2.4114	3.0479	2.1679	2.8094	2.8928	4.5143	4.2546
C3	1.0880	1.0900		2.2043	2.1896	1.5562	3.0242	3.3741	2.4727	2.2053	2.1819	1.5365	2.7418	2.4082	4.1040	3.7028
H4	2.3759	2.9570	2.2043		1.7482	1.0881	2.3730	2.7968	2.1844	4.1694	3.3295	3.1746	3.8335	3.3051	5.1471	4.3916
H5	2.8885	2.3183	2.1896	1.7482		1.0891	3.0270	2.3967	2.1824	4.0277	3.8963	3.2411	3.0079	3.0143	4.9616	4.3200
C6	2.2122	2.1871	1.5562	1.0881	1.0891		2.1873	2.2123	1.5423	3.4011	2.9224	2.4581	2.7977	2.4264	4.3600	3.6752
H7	3.5791	3.9165	3.0242	2.3730	3.0270	2.1873		1.7597	1.0907	3.7879	2.6236	2.7469	3.0211	2.1212	3.4174	2.5011
H8	4.2400	3.8635	3.3741	2.7968	2.3967	2.2123	1.7597		1.0880	4.2507	3.7626	3.3604	2.4402	2.1864	3.6703	2.8242
C9	3.2830	3.1572	2.4727	2.1844	2.1824	1.5423	1.0907	1.0880		3.3734	2.7133	2.3880	2.1543	1.5245	3.2479	2.4083
H10	2.7338	2.4114	2.2053	4.1694	4.0277	3.4011	3.7879	4.2507	3.3734		1.7650	1.0902	2.4715	2.2021	2.7935	2.9268
H11	2.4224	3.0479	2.1819	3.3295	3.8963	2.9224	2.6236	3.7626	2.7133	1.7650		1.0915	3.0339	2.1318	2.9129	2.6166
C12	2.1902	2.1679	1.5365	3.1746	3.2411	2.4581	2.7469	3.3604	2.3880	1.0902	1.0915		2.1566	1.5297	2.7227	2.4858
H13	3.7982	2.8094	2.7418	3.8335	3.0079	2.7977	3.0211	2.4402	2.1543	2.4715	3.0339	2.1566		1.0973	2.3140	2.0719
C14	3.3428	2.8928	2.4082	3.3051	3.0143	2.4264	2.1212	2.1864	1.5245	2.2021	2.1318	1.5297	1.0973		1.9582	1.4181
H15	4.8926	4.5143	4.1040	5.1471	4.9616	4.3600	3.4174	3.6703	3.2479	2.7935	2.9129	2.7227	2.3140	1.9582		0.9599
O16	4.5060	4.2546	3.7028	4.3916	4.3200	3.6752	2.5011	2.8242	2.4083	2.9268	2.6166	2.4858	2.0719	1.4181	0.9599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.921	H1	C3	C6	112.359
H1	C3	C12	111.994	H2	C3	C6	110.241
H2	C3	C12	110.095	C3	C6	H4	111.711
C3	C6	H5	110.490	C3	C6	C9	105.883
C3	C12	H10	113.088	C3	C12	H11	111.123
C3	C12	C14	103.513	H4	C6	H5	106.822
H4	C6	C9	111.112	H5	C6	C9	110.890
C6	C3	C12	105.271	C6	C9	H7	111.188
C6	C9	H8	113.383	C6	C9	C14	104.593
H7	C9	H8	107.736	H7	C9	C14	107.247
H8	C9	C14	112.563	C9	C14	C12	102.864
C9	C14	H13	109.432	C9	C14	O16	109.808
H10	C12	H11	108.004	H10	C12	C14	113.326
H11	C12	C14	107.666	C12	C14	H13	109.252
C12	C14	O16	114.918	H13	C14	O16	110.259
C14	O16	H15	109.356

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)