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	hartrees
Energy at 0K	-61.576673
Energy at 298.15K	-61.581227
Nuclear repulsion energy	132.072504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3122	8.42
2	A₁	3074	2970	2.04
3	A₁	1611	1556	13.39
4	A₁	1540	1488	1.80
5	A₁	1470	1421	22.61
6	A₁	1243	1201	107.01
7	A₁	1078	1041	17.24
8	A₁	833	805	1.50
9	A₁	554	535	4.67
10	A₁	365	353	17.95
11	A₂	1159	1120	0.00
12	A₂	937	906	0.00
13	A₂	614	594	0.00
14	A₂	252	243	0.00
15	B₁	3152	3046	5.86
16	B₁	981	948	18.45
17	B₁	804	777	42.53
18	B₁	444	429	2.22
19	B₁	90	87	17.80
20	B₂	3198	3090	0.64
21	B₂	1582	1528	166.57
22	B₂	1337	1292	6.63
23	B₂	1284	1240	1.08
24	B₂	1157	1118	0.02
25	B₂	821	793	1.77
26	B₂	681	658	0.45
27	B₂	499	482	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.118
C2	0.000	1.227	0.148
C3	0.000	-1.227	0.148
C4	0.000	0.699	-1.288
C5	0.000	-0.699	-1.288
O6	0.000	2.462	0.484
O7	0.000	-2.462	0.484
H8	0.900	0.000	1.767
H9	-0.900	0.000	1.767
H10	0.000	1.364	-2.161
H11	0.000	-1.364	-2.161

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5638	1.5638	2.5050	2.5050	2.5426	2.5426	1.1093	1.1093	3.5510	3.5510
C2	1.5638		2.4538	1.5300	2.4019	1.2804	3.7045	2.2215	2.2215	2.3130	3.4703
C3	1.5638	2.4538		2.4019	1.5300	3.7045	1.2804	2.2215	2.2215	3.4703	2.3130
C4	2.5050	1.5300	2.4019		1.3970	2.5003	3.6237	3.2601	3.2601	1.0976	2.2395
C5	2.5050	2.4019	1.5300	1.3970		3.6237	2.5003	3.2601	3.2601	2.2395	1.0976
O6	2.5426	1.2804	3.7045	2.5003	3.6237		4.9247	2.9185	2.9185	2.8641	4.6515
O7	2.5426	3.7045	1.2804	3.6237	2.5003	4.9247		2.9185	2.9185	4.6515	2.8641
H8	1.1093	2.2215	2.2215	3.2601	3.2601	2.9185	2.9185		1.7993	4.2539	4.2539
H9	1.1093	2.2215	2.2215	3.2601	3.2601	2.9185	2.9185	1.7993		4.2539	4.2539
H10	3.5510	2.3130	3.4703	1.0976	2.2395	2.8641	4.6515	4.2539	4.2539		2.7277
H11	3.5510	3.4703	2.3130	2.2395	1.0976	4.6515	2.8641	4.2539	4.2539	2.7277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	108.120	C1	C2	O6	126.455
C1	C3	C5	108.120	C1	C3	O7	126.455
C2	C1	C3	103.354	C2	C1	H8	111.273
C2	C1	H9	111.273	C2	C4	C5	110.202
C2	C4	H10	122.485	C3	C1	H8	111.273
C3	C1	H9	111.273	C3	C5	C4	110.202
C3	C5	H11	122.485	C4	C2	O6	125.425
C4	C5	H11	127.313	C5	C3	O7	125.425
C5	C4	H10	127.313	H8	C1	H9	108.382

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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