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	hartrees
Energy at 0K	-342.381243
Energy at 298.15K	-342.385873
Nuclear repulsion energy	266.564606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3097	0.42
2	A₁	3131	2950	0.76
3	A₁	1812	1707	15.37
4	A₁	1634	1539	4.85
5	A₁	1480	1394	17.71
6	A₁	1293	1218	120.28
7	A₁	1100	1037	13.21
8	A₁	870	820	1.29
9	A₁	579	546	3.76
10	A₁	387	365	15.77
11	A₂	1170	1103	0.00
12	A₂	971	915	0.00
13	A₂	634	597	0.00
14	A₂	237	224	0.00
15	B₁	3187	3003	0.01
16	B₁	981	924	22.26
17	B₁	806	759	31.20
18	B₁	442	417	0.57
19	B₁	84	79	15.39
20	B₂	3267	3078	0.01
21	B₂	1784	1681	258.19
22	B₂	1376	1297	13.58
23	B₂	1275	1201	3.04
24	B₂	1178	1110	0.60
25	B₂	842	794	2.52
26	B₂	700	659	1.00
27	B₂	522	492	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.085
C2	0.000	1.197	0.147
C3	0.000	-1.197	0.147
C4	0.000	0.674	-1.246
C5	0.000	-0.674	-1.246
O6	0.000	2.379	0.464
O7	0.000	-2.379	0.464
H8	0.883	0.000	1.733
H9	-0.883	0.000	1.733
H10	0.000	1.333	-2.108
H11	0.000	-1.333	-2.108

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5210	1.5210	2.4272	2.4272	2.4590	2.4590	1.0947	1.0947	3.4607	3.4607
C2	1.5210		2.3943	1.4887	2.3330	1.2238	3.5904	2.1739	2.1739	2.2595	3.3897
C3	1.5210	2.3943		2.3330	1.4887	3.5904	1.2238	2.1739	2.1739	3.3897	2.2595
C4	2.4272	1.4887	2.3330		1.3477	2.4154	3.4996	3.1793	3.1793	1.0851	2.1843
C5	2.4272	2.3330	1.4887	1.3477		3.4996	2.4154	3.1793	3.1793	2.1843	1.0851
O6	2.4590	1.2238	3.5904	2.4154	3.4996		4.7585	2.8372	2.8372	2.7768	4.5165
O7	2.4590	3.5904	1.2238	3.4996	2.4154	4.7585		2.8372	2.8372	4.5165	2.7768
H8	1.0947	2.1739	2.1739	3.1793	3.1793	2.8372	2.8372		1.7657	4.1604	4.1604
H9	1.0947	2.1739	2.1739	3.1793	3.1793	2.8372	2.8372	1.7657		4.1604	4.1604
H10	3.4607	2.2595	3.3897	1.0851	2.1843	2.7768	4.5165	4.1604	4.1604		2.6665
H11	3.4607	3.3897	2.2595	2.1843	1.0851	4.5165	2.7768	4.1604	4.1604	2.6665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.504	C1	C2	O6	126.913
C1	C3	C5	107.504	C1	C3	O7	126.913
C2	C1	C3	103.832	C2	C1	H8	111.389
C2	C1	H9	111.389	C2	C4	C5	110.580
C2	C4	H10	121.998	C3	C1	H8	111.389
C3	C1	H9	111.389	C3	C5	C4	110.580
C3	C5	H11	121.998	C4	C2	O6	125.583
C4	C5	H11	127.421	C5	C3	O7	125.583
C5	C4	H10	127.421	H8	C1	H9	107.509

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)