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	hartrees
Energy at 0K	-342.436089
Energy at 298.15K	-342.440682
Nuclear repulsion energy	266.515828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3111	0.41
2	A₁	3152	2961	0.51
3	A₁	1781	1673	22.32
4	A₁	1622	1523	4.67
5	A₁	1462	1373	19.10
6	A₁	1286	1207	105.89
7	A₁	1097	1030	10.58
8	A₁	869	816	2.04
9	A₁	579	544	3.56
10	A₁	386	363	16.35
11	A₂	1151	1081	0.00
12	A₂	963	905	0.00
13	A₂	612	575	0.00
14	A₂	228	214	0.00
15	B₁	3216	3020	0.10
16	B₁	964	905	15.27
17	B₁	796	748	36.19
18	B₁	435	409	0.37
19	B₁	73	68	16.80
20	B₂	3292	3091	0.01
21	B₂	1753	1646	344.36
22	B₂	1376	1293	10.23
23	B₂	1270	1193	1.50
24	B₂	1174	1103	1.86
25	B₂	842	790	4.10
26	B₂	699	657	0.68
27	B₂	524	492	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.086
C2	0.000	1.195	0.147
C3	0.000	-1.195	0.147
C4	0.000	0.675	-1.247
C5	0.000	-0.675	-1.247
O6	0.000	2.380	0.466
O7	0.000	-2.380	0.466
H8	0.882	0.000	1.726
H9	-0.882	0.000	1.726
H10	0.000	1.331	-2.106
H11	0.000	-1.331	-2.106

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5200	1.5200	2.4289	2.4289	2.4594	2.4594	1.0899	1.0899	3.4582	3.4582
C2	1.5200		2.3905	1.4878	2.3330	1.2270	3.5895	2.1681	2.1681	2.2567	3.3850
C3	1.5200	2.3905		2.3330	1.4878	3.5895	1.2270	2.1681	2.1681	3.3850	2.2567
C4	2.4289	1.4878	2.3330		1.3509	2.4169	3.5031	3.1741	3.1741	1.0804	2.1828
C5	2.4289	2.3330	1.4878	1.3509		3.5031	2.4169	3.1741	3.1741	2.1828	1.0804
O6	2.4594	1.2270	3.5895	2.4169	3.5031		4.7600	2.8337	2.8337	2.7774	4.5155
O7	2.4594	3.5895	1.2270	3.5031	2.4169	4.7600		2.8337	2.8337	4.5155	2.7774
H8	1.0899	2.1681	2.1681	3.1741	3.1741	2.8337	2.8337		1.7641	4.1513	4.1513
H9	1.0899	2.1681	2.1681	3.1741	3.1741	2.8337	2.8337	1.7641		4.1513	4.1513
H10	3.4582	2.2567	3.3850	1.0804	2.1828	2.7774	4.5155	4.1513	4.1513		2.6630
H11	3.4582	3.3850	2.2567	2.1828	1.0804	4.5155	2.7774	4.1513	4.1513	2.6630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.706	C1	C2	O6	126.761
C1	C3	C5	107.706	C1	C3	O7	126.761
C2	C1	C3	103.692	C2	C1	H8	111.277
C2	C1	H9	111.277	C2	C4	C5	110.448
C2	C4	H10	122.165	C3	C1	H8	111.277
C3	C1	H9	111.277	C3	C5	C4	110.448
C3	C5	H11	122.165	C4	C2	O6	125.533
C4	C5	H11	127.386	C5	C3	O7	125.533
C5	C4	H10	127.386	H8	C1	H9	108.055

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

using model chemistry: MP2=FULL/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 C5H4O2 (4-Cyclopentene-1,3-dione)

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

States and conformations

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