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	hartrees
Energy at 0K	-270.978460
Energy at 298.15K
HF Energy	-270.034203
Nuclear repulsion energy	254.458461

Atom	x (Å)	y (Å)	z (Å)
H1	-2.152	1.239	-0.666
H2	-1.790	1.136	1.043
C3	-1.474	0.791	0.059
H4	-2.088	-1.132	-0.829
H5	-1.937	-1.172	0.912
C6	-1.493	-0.765	0.005
H7	0.248	-1.367	-1.174
H8	0.215	-2.111	0.421
C9	-0.019	-1.201	-0.129
H10	0.261	2.140	0.259
H11	0.197	1.253	-1.265
C12	-0.011	1.187	-0.196
H13	0.761	0.034	1.452
C14	0.786	0.001	0.355
H15	2.610	0.654	0.226
O16	2.118	-0.094	-0.117

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7505	1.0885	2.3776	2.8894	2.2134	3.5788	4.2432	3.2851	2.7363	2.4235	2.1922	3.7977	3.3473	4.8801	4.5061
H2	1.7505		1.0903	2.9565	2.3162	2.1864	3.9158	3.8665	3.1580	2.4138	3.0477	2.1682	2.8083	2.8976	4.5012	4.2574
C3	1.0885	1.0903		2.2051	2.1896	1.5565	3.0234	3.3770	2.4741	2.2071	2.1812	1.5371	2.7407	2.4125	4.0905	3.7034
H4	2.3776	2.9565	2.2051		1.7485	1.0886	2.3733	2.7977	2.1859	4.1726	3.3314	3.1772	3.8319	3.3090	5.1364	4.3902
H5	2.8894	2.3162	2.1896	1.7485		1.0895	3.0276	2.3996	2.1833	4.0281	3.8952	3.2406	3.0043	3.0175	4.9485	4.3200
C6	2.2134	2.1864	1.5565	1.0886	1.0895		2.1868	2.2141	1.5431	3.4026	2.9217	2.4586	2.7951	2.4297	4.3473	3.6741
H7	3.5788	3.9158	3.0234	2.3733	3.0276	2.1868		1.7597	1.0909	3.7887	2.6217	2.7471	3.0204	2.1210	3.4096	2.4963
H8	4.2432	3.8665	3.3770	2.7977	2.3996	2.2141	1.7597		1.0884	4.2542	3.7623	3.3625	2.4417	2.1890	3.6632	2.8237
C9	3.2851	3.1580	2.4741	2.1859	2.1833	1.5431	1.0909	1.0884		3.3753	2.7125	2.3890	2.1528	1.5258	3.2374	2.4060
H10	2.7363	2.4138	2.2071	4.1726	4.0281	3.4026	3.7887	4.2542	3.3753		1.7653	1.0906	2.4718	2.2043	2.7804	2.9295
H11	2.4235	3.0477	2.1812	3.3314	3.8952	2.9217	2.6217	3.7623	2.7125	1.7653		1.0915	3.0314	2.1301	2.8997	2.6121
C12	2.1922	2.1682	1.5371	3.1772	3.2406	2.4586	2.7471	3.3625	2.3890	1.0906	1.0915		2.1545	1.5310	2.7082	2.4858
H13	3.7977	2.8083	2.7407	3.8319	3.0043	2.7951	3.0204	2.4417	2.1528	2.4718	3.0314	2.1545		1.0986	2.3045	2.0786
C14	3.3473	2.8976	2.4125	3.3090	3.0175	2.4297	2.1210	2.1890	1.5258	2.2043	2.1301	1.5310	1.0986		1.9418	1.4157
H15	4.8801	4.5012	4.0905	5.1364	4.9485	4.3473	3.4096	3.6632	3.2374	2.7804	2.8997	2.7082	2.3045	1.9418		0.9595
O16	4.5061	4.2574	3.7034	4.3902	4.3200	3.6741	2.4963	2.8237	2.4060	2.9295	2.6121	2.4858	2.0786	1.4157	0.9595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.914	H1	C3	C6	112.408
H1	C3	C12	112.087	H2	C3	C6	110.146
H2	C3	C12	110.060	C3	C6	H4	111.728
C3	C6	H5	110.443	C3	C6	C9	105.916
C3	C12	H10	113.175	C3	C12	H11	111.022
C3	C12	C14	103.687	H4	C6	H5	106.788
H4	C6	C9	111.146	H5	C6	C9	110.887
C6	C3	C12	105.262	C6	C9	H7	111.083
C6	C9	H8	113.451	C6	C9	C14	104.689
H7	C9	H8	107.701	H7	C9	C14	107.128
H8	C9	C14	112.646	C9	C14	C12	102.801
C9	C14	H13	109.147	C9	C14	O16	109.704
H10	C12	H11	107.991	H10	C12	C14	113.388
H11	C12	C14	107.442	C12	C14	H13	108.923
C12	C14	O16	114.982	H13	C14	O16	110.896
C14	O16	H15	108.141

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

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

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)