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	hartrees
Energy at 0K	-342.180259
Energy at 298.15K	-342.185130
Nuclear repulsion energy	268.734044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3124	0.36
2	A₁	3212	2967	0.20
3	A₁	1993	1841	30.79
4	A₁	1756	1622	3.59
5	A₁	1528	1411	19.85
6	A₁	1352	1249	131.23
7	A₁	1146	1058	10.18
8	A₁	900	832	1.48
9	A₁	606	560	4.44
10	A₁	409	378	22.93
11	A₂	1222	1129	0.00
12	A₂	1057	977	0.00
13	A₂	676	624	0.00
14	A₂	257	237	0.00
15	B₁	3264	3015	0.05
16	B₁	1038	959	32.62
17	B₁	848	784	32.55
18	B₁	466	431	0.00
19	B₁	92	85	18.94
20	B₂	3361	3104	0.08
21	B₂	1956	1807	527.32
22	B₂	1437	1327	16.35
23	B₂	1348	1245	0.01
24	B₂	1230	1136	3.59
25	B₂	878	811	1.76
26	B₂	728	672	0.99
27	B₂	549	507	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.086
C2	0.000	1.193	0.150
C3	0.000	-1.193	0.150
C4	0.000	0.665	-1.244
C5	0.000	-0.665	-1.244
O6	0.000	2.352	0.460
O7	0.000	-2.352	0.460
H8	0.878	0.000	1.727
H9	-0.878	0.000	1.727
H10	0.000	1.322	-2.098
H11	0.000	-1.322	-2.098

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5160	1.5160	2.4225	2.4225	2.4343	2.4343	1.0876	1.0876	3.4472	3.4472
C2	1.5160		2.3854	1.4899	2.3226	1.2004	3.5586	2.1638	2.1638	2.2515	3.3728
C3	1.5160	2.3854		2.3226	1.4899	3.5586	1.2004	2.1638	2.1638	3.3728	2.2515
C4	2.4225	1.4899	2.3226		1.3309	2.3974	3.4654	3.1687	3.1687	1.0774	2.1631
C5	2.4225	2.3226	1.4899	1.3309		3.4654	2.3974	3.1687	3.1687	2.1631	1.0774
O6	2.4343	1.2004	3.5586	2.3974	3.4654		4.7048	2.8128	2.8128	2.7576	4.4769
O7	2.4343	3.5586	1.2004	3.4654	2.3974	4.7048		2.8128	2.8128	4.4769	2.7576
H8	1.0876	2.1638	2.1638	3.1687	3.1687	2.8128	2.8128		1.7562	4.1414	4.1414
H9	1.0876	2.1638	2.1638	3.1687	3.1687	2.8128	2.8128	1.7562		4.1414	4.1414
H10	3.4472	2.2515	3.3728	1.0774	2.1631	2.7576	4.4769	4.1414	4.1414		2.6436
H11	3.4472	3.3728	2.2515	2.1631	1.0774	4.4769	2.7576	4.1414	4.1414	2.6436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.394	C1	C2	O6	126.917
C1	C3	C5	107.394	C1	C3	O7	126.917
C2	C1	C3	103.762	C2	C1	H8	111.359
C2	C1	H9	111.359	C2	C4	C5	110.725
C2	C4	H10	121.740	C3	C1	H8	111.359
C3	C1	H9	111.359	C3	C5	C4	110.725
C3	C5	H11	121.740	C4	C2	O6	125.689
C4	C5	H11	127.534	C5	C3	O7	125.689
C5	C4	H10	127.534	H8	C1	H9	107.685

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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