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	hartrees
Energy at 0K	-62.141456
Energy at 298.15K	-62.145945
Nuclear repulsion energy	135.303458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3099	1.91
2	A₁	3105	2958	0.01
3	A₁	1749	1667	19.51
4	A₁	1584	1509	4.16
5	A₁	1457	1388	21.84
6	A₁	1274	1214	113.04
7	A₁	1076	1025	11.07
8	A₁	851	811	2.56
9	A₁	566	539	3.79
10	A₁	380	362	15.56
11	A₂	1148	1094	0.00
12	A₂	928	884	0.00
13	A₂	612	583	0.00
14	A₂	222	211	0.00
15	B₁	3169	3020	0.39
16	B₁	949	905	19.51
17	B₁	788	751	39.61
18	B₁	420	400	0.77
19	B₁	65	62	15.66
20	B₂	3233	3080	0.36
21	B₂	1723	1641	324.44
22	B₂	1350	1286	12.20
23	B₂	1263	1203	1.32
24	B₂	1155	1100	1.39
25	B₂	829	790	3.26
26	B₂	685	652	0.67
27	B₂	512	488	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.096
C2	0.000	1.206	0.150
C3	0.000	-1.206	0.150
C4	0.000	0.680	-1.258
C5	0.000	-0.680	-1.258
O6	0.000	2.396	0.469
O7	0.000	-2.396	0.469
H8	0.888	0.000	1.738
H9	-0.888	0.000	1.738
H10	0.000	1.341	-2.122
H11	0.000	-1.341	-2.122

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5326	1.5326	2.4503	2.4503	2.4771	2.4771	1.0953	1.0953	3.4855	3.4855
C2	1.5326		2.4110	1.5027	2.3529	1.2328	3.6160	2.1824	2.1824	2.2750	3.4118
C3	1.5326	2.4110		2.3529	1.5027	3.6160	1.2328	2.1824	2.1824	3.4118	2.2750
C4	2.4503	1.5027	2.3529		1.3596	2.4349	3.5277	3.1976	3.1976	1.0871	2.1971
C5	2.4503	2.3529	1.5027	1.3596		3.5277	2.4349	3.1976	3.1976	2.1971	1.0871
O6	2.4771	1.2328	3.6160	2.4349	3.5277		4.7927	2.8531	2.8531	2.7970	4.5468
O7	2.4771	3.6160	1.2328	3.5277	2.4349	4.7927		2.8531	2.8531	4.5468	2.7970
H8	1.0953	2.1824	2.1824	3.1976	3.1976	2.8531	2.8531		1.7754	4.1806	4.1806
H9	1.0953	2.1824	2.1824	3.1976	3.1976	2.8531	2.8531	1.7754		4.1806	4.1806
H10	3.4855	2.2750	3.4118	1.0871	2.1971	2.7970	4.5468	4.1806	4.1806		2.6812
H11	3.4855	3.4118	2.2750	2.1971	1.0871	4.5468	2.7970	4.1806	4.1806	2.6812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.654	C1	C2	O6	126.867
C1	C3	C5	107.654	C1	C3	O7	126.867
C2	C1	C3	103.736	C2	C1	H8	111.206
C2	C1	H9	111.206	C2	C4	C5	110.477
C2	C4	H10	122.089	C3	C1	H8	111.206
C3	C1	H9	111.206	C3	C5	C4	110.477
C3	C5	H11	122.089	C4	C2	O6	125.479
C4	C5	H11	127.434	C5	C3	O7	125.479
C5	C4	H10	127.434	H8	C1	H9	108.278

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)

using model chemistry: MP2/CEP-121G*

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 C5H4O2 (4-Cyclopentene-1,3-dione)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)