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	hartrees
Energy at 0K	-269.838728
Energy at 298.15K	-269.848311
HF Energy	-268.882142
Nuclear repulsion energy	233.742890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3130	3064
2	A	3115	3049
3	A	3047	2982
4	A	3047	2982
5	A	1817	1779
6	A	1494	1463
7	A	1437	1407
8	A	1342	1313
9	A	1302	1274
10	A	1218	1192
11	A	1174	1150
12	A	1038	1016
13	A	958	938
14	A	911	891
15	A	819	802
16	A	712	697
17	A	554	542
18	A	249	244
19	B	3132	3065
20	B	3119	3053
21	B	3050	2985
22	B	3046	2982
23	B	1478	1447
24	B	1439	1409
25	B	1337	1309
26	B	1297	1269
27	B	1245	1219
28	B	1170	1145
29	B	1150	1126
30	B	972	952
31	B	915	896
32	B	850	832
33	B	573	561
34	B	464	454
35	B	444	434
36	B	87	85

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	2.147
C2	0.000	0.000	0.930
C3	0.000	1.249	0.025
C4	0.000	-1.249	0.025
C5	0.323	0.704	-1.381
C6	-0.323	-0.704	-1.381
H7	-1.024	1.676	0.055
H8	1.024	-1.676	0.055
H9	0.693	2.017	0.411
H10	-0.693	-2.017	0.411
H11	-0.047	1.349	-2.198
H12	0.047	-1.349	-2.198
H13	1.421	0.606	-1.502
H14	-1.421	-0.606	-1.502

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2170	2.4624	2.4624	3.6120	3.6120	2.8691	2.8691	2.7500	2.7500	4.5496	4.5496	3.9625	3.9625
C2	1.2170		1.5425	1.5425	2.4373	2.4373	2.1498	2.1498	2.1950	2.1950	3.4066	3.4066	2.8811	2.8811
C3	2.4624	1.5425		2.4981	1.5419	2.4283	1.1099	3.0989	1.1040	3.3611	2.2253	3.4196	2.1831	2.7913
C4	2.4624	1.5425	2.4981		2.4283	1.5419	3.0989	1.1099	3.3611	1.1040	3.4196	2.2253	2.7913	2.1831
C5	3.6120	2.4373	1.5419	2.4283		1.5502	2.1958	2.8667	2.2518	3.4132	1.1046	2.2273	1.1092	2.1852
C6	3.6120	2.4373	2.4283	1.5419	1.5502		2.8667	2.1958	3.4132	2.2518	2.2273	1.1046	2.1852	1.1092
H7	2.8691	2.1498	1.1099	3.0989	2.1958	2.8667		3.9276	1.7864	3.7245	2.4773	3.9208	3.0905	2.7903
H8	2.8691	2.1498	3.0989	1.1099	2.8667	2.1958	3.9276		3.7245	1.7864	3.9208	2.4773	2.7903	3.0905
H9	2.7500	2.1950	1.1040	3.3611	2.2518	3.4132	1.7864	3.7245		4.2655	2.7926	4.3075	2.4865	3.8739
H10	2.7500	2.1950	3.3611	1.1040	3.4132	2.2518	3.7245	1.7864	4.2655		4.3075	2.7926	3.8739	2.4865
H11	4.5496	3.4066	2.2253	3.4196	1.1046	2.2273	2.4773	3.9208	2.7926	4.3075		2.7002	1.7871	2.4889
H12	4.5496	3.4066	3.4196	2.2253	2.2273	1.1046	3.9208	2.4773	4.3075	2.7926	2.7002		2.4889	1.7871
H13	3.9625	2.8811	2.1831	2.7913	1.1092	2.1852	3.0905	2.7903	2.4865	3.8739	1.7871	2.4889		3.0902
H14	3.9625	2.8811	2.7913	2.1831	2.1852	1.1092	2.7903	3.0905	3.8739	2.4865	2.4889	1.7871	3.0902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	125.926	O1	C2	C4	125.926
C2	C3	C5	104.412	C2	C3	H7	107.163
C2	C3	H9	110.989	C2	C4	C6	104.412
C2	C4	H8	107.163	C2	C4	H10	110.989
C3	C2	C4	108.149	C3	C5	C6	103.505
C3	C5	H11	113.427	C3	C5	H13	109.789
C4	C6	C5	103.505	C4	C6	H12	113.427
C4	C6	H14	109.789	C5	C3	H7	110.745
C5	C3	H9	115.658	C5	C6	H12	112.994
C5	C6	H14	109.395	C6	C4	H8	110.745
C6	C4	H10	115.658	C6	C5	H11	112.994
C6	C5	H13	109.395	H7	C3	H9	107.586
H8	C4	H10	107.586	H11	C5	H13	107.661
H12	C6	H14	107.661

All results from a given calculation for C₅H₈O (Cyclopentanone)

using model chemistry: CCSD(T)/cc-pVDZ

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 C5H8O (Cyclopentanone)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈O (Cyclopentanone)