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	hartrees
Energy at 0K	-342.729075
Energy at 298.15K	-342.733747
Nuclear repulsion energy	267.423774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3100	0.22
2	A₁	3113	2956	0.56
3	A₁	1789	1699	19.29
4	A₁	1605	1524	5.22
5	A₁	1425	1353	17.04
6	A₁	1270	1206	114.19
7	A₁	1073	1019	10.06
8	A₁	861	818	2.31
9	A₁	573	544	3.29
10	A₁	388	368	14.87
11	A₂	1150	1092	0.00
12	A₂	1009	958	0.00
13	A₂	647	614	0.00
14	A₂	244	232	0.00
15	B₁	3170	3010	0.09
16	B₁	961	912	20.28
17	B₁	811	770	23.89
18	B₁	434	412	0.57
19	B₁	84	80	14.72
20	B₂	3243	3080	0.00
21	B₂	1761	1672	309.44
22	B₂	1352	1284	13.19
23	B₂	1236	1173	2.45
24	B₂	1150	1092	0.75
25	B₂	832	790	3.80
26	B₂	692	657	0.99
27	B₂	522	496	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.084
C2	0.000	1.196	0.149
C3	0.000	-1.196	0.149
C4	0.000	0.673	-1.244
C5	0.000	-0.673	-1.244
O6	0.000	2.369	0.463
O7	0.000	-2.369	0.463
H8	0.881	0.000	1.724
H9	-0.881	0.000	1.724
H10	0.000	1.327	-2.104
H11	0.000	-1.327	-2.104

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5183	1.5183	2.4238	2.4238	2.4495	2.4495	1.0890	1.0890	3.4531	3.4531
C2	1.5183		2.3917	1.4880	2.3309	1.2149	3.5791	2.1653	2.1653	2.2564	3.3821
C3	1.5183	2.3917		2.3309	1.4880	3.5791	1.2149	2.1653	2.1653	3.3821	2.2564
C4	2.4238	1.4880	2.3309		1.3458	2.4069	3.4886	3.1688	3.1688	1.0800	2.1767
C5	2.4238	2.3309	1.4880	1.3458		3.4886	2.4069	3.1688	3.1688	2.1767	1.0800
O6	2.4495	1.2149	3.5791	2.4069	3.4886		4.7389	2.8251	2.8251	2.7704	4.5001
O7	2.4495	3.5791	1.2149	3.4886	2.4069	4.7389		2.8251	2.8251	4.5001	2.7704
H8	1.0890	2.1653	2.1653	3.1688	3.1688	2.8251	2.8251		1.7621	4.1462	4.1462
H9	1.0890	2.1653	2.1653	3.1688	3.1688	2.8251	2.8251	1.7621		4.1462	4.1462
H10	3.4531	2.2564	3.3821	1.0800	2.1767	2.7704	4.5001	4.1462	4.1462		2.6538
H11	3.4531	3.3821	2.2564	2.1767	1.0800	4.5001	2.7704	4.1462	4.1462	2.6538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.457	C1	C2	O6	126.981
C1	C3	C5	107.457	C1	C3	O7	126.981
C2	C1	C3	103.934	C2	C1	H8	111.230
C2	C1	H9	111.230	C2	C4	C5	110.576
C2	C4	H10	122.153	C3	C1	H8	111.230
C3	C1	H9	111.230	C3	C5	C4	110.576
C3	C5	H11	122.153	C4	C2	O6	125.563
C4	C5	H11	127.270	C5	C3	O7	125.563
C5	C4	H10	127.270	H8	C1	H9	108.006

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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