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	hartrees
Energy at 0K	-341.917378
Energy at 298.15K	-341.922030
Nuclear repulsion energy	262.556446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3096	2.43
2	A₁	3095	2940	0.04
3	A₁	1667	1584	8.81
4	A₁	1582	1503	2.71
5	A₁	1512	1437	16.58
6	A₁	1249	1186	110.28
7	A₁	1103	1048	22.36
8	A₁	852	810	1.19
9	A₁	578	549	4.73
10	A₁	377	358	15.18
11	A₂	1175	1117	0.00
12	A₂	933	886	0.00
13	A₂	621	590	0.00
14	A₂	254	242	0.00
15	B₁	3149	2992	0.63
16	B₁	1002	952	14.76
17	B₁	777	738	44.58
18	B₁	453	430	1.51
19	B₁	95	90	16.51
20	B₂	3235	3073	0.27
21	B₂	1635	1553	143.04
22	B₂	1369	1301	9.19
23	B₂	1293	1228	3.05
24	B₂	1156	1098	0.01
25	B₂	825	784	2.41
26	B₂	708	672	1.02
27	B₂	518	492	1.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.099
C2	0.000	1.208	0.145
C3	0.000	-1.208	0.145
C4	0.000	0.682	-1.262
C5	0.000	-0.682	-1.262
O6	0.000	2.424	0.473
O7	0.000	-2.424	0.473
H8	0.888	0.000	1.747
H9	-0.888	0.000	1.747
H10	0.000	1.340	-2.128
H11	0.000	-1.340	-2.128

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5392	1.5392	2.4576	2.4576	2.5038	2.5038	1.0992	1.0992	3.4944	3.4944
C2	1.5392		2.4157	1.5020	2.3563	1.2599	3.6469	2.1940	2.1940	2.2772	3.4145
C3	1.5392	2.4157		2.3563	1.5020	3.6469	1.2599	2.1940	2.1940	3.4145	2.2772
C4	2.4576	1.5020	2.3563		1.3645	2.4587	3.5582	3.2106	3.2106	1.0876	2.1997
C5	2.4576	2.3563	1.5020	1.3645		3.5582	2.4587	3.2106	3.2106	2.1997	1.0876
O6	2.5038	1.2599	3.6469	2.4587	3.5582		4.8485	2.8789	2.8789	2.8185	4.5755
O7	2.5038	3.6469	1.2599	3.5582	2.4587	4.8485		2.8789	2.8789	4.5755	2.8185
H8	1.0992	2.1940	2.1940	3.2106	3.2106	2.8789	2.8789		1.7757	4.1955	4.1955
H9	1.0992	2.1940	2.1940	3.2106	3.2106	2.8789	2.8789	1.7757		4.1955	4.1955
H10	3.4944	2.2772	3.4145	1.0876	2.1997	2.8185	4.5755	4.1955	4.1955		2.6794
H11	3.4944	3.4145	2.2772	2.1997	1.0876	4.5755	2.8185	4.1955	4.1955	2.6794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.818	C1	C2	O6	126.606
C1	C3	C5	107.818	C1	C3	O7	126.606
C2	C1	C3	103.397	C2	C1	H8	111.432
C2	C1	H9	111.432	C2	C4	C5	110.484
C2	C4	H10	122.325	C3	C1	H8	111.432
C3	C1	H9	111.432	C3	C5	C4	110.484
C3	C5	H11	122.325	C4	C2	O6	125.577
C4	C5	H11	127.191	C5	C3	O7	125.577
C5	C4	H10	127.191	H8	C1	H9	107.751

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

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

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