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	hartrees
Energy at 0K	-342.468824
Energy at 298.15K	-342.473420
Nuclear repulsion energy	265.146995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3125	0.49
2	A₁	3097	2970	0.34
3	A₁	1751	1679	24.36
4	A₁	1589	1524	5.55
5	A₁	1406	1348	16.97
6	A₁	1268	1216	103.46
7	A₁	1064	1021	7.67
8	A₁	859	824	2.29
9	A₁	569	546	3.11
10	A₁	383	368	16.03
11	A₂	1129	1083	0.00
12	A₂	965	926	0.00
13	A₂	628	602	0.00
14	A₂	237	227	0.00
15	B₁	3160	3031	0.02
16	B₁	942	903	16.16
17	B₁	792	759	25.49
18	B₁	423	406	0.36
19	B₁	82	78	16.05
20	B₂	3237	3105	0.04
21	B₂	1723	1652	348.17
22	B₂	1336	1281	10.29
23	B₂	1217	1167	1.14
24	B₂	1144	1097	1.13
25	B₂	827	793	3.85
26	B₂	685	657	0.79
27	B₂	516	495	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.093
C2	0.000	1.203	0.149
C3	0.000	-1.203	0.149
C4	0.000	0.681	-1.255
C5	0.000	-0.681	-1.255
O6	0.000	2.388	0.468
O7	0.000	-2.388	0.468
H8	0.892	0.000	1.738
H9	-0.892	0.000	1.738
H10	0.000	1.344	-2.124
H11	0.000	-1.344	-2.124

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5285	1.5285	2.4445	2.4445	2.4683	2.4683	1.1011	1.1011	3.4862	3.4862
C2	1.5285		2.4054	1.4981	2.3497	1.2275	3.6049	2.1831	2.1831	2.2779	3.4137
C3	1.5285	2.4054		2.3497	1.4981	3.6049	1.2275	2.1831	2.1831	3.4137	2.2779
C4	2.4445	1.4981	2.3497		1.3622	2.4257	3.5199	3.1964	3.1964	1.0929	2.2035
C5	2.4445	2.3497	1.4981	1.3622		3.5199	2.4257	3.1964	3.1964	2.2035	1.0929
O6	2.4683	1.2275	3.6049	2.4257	3.5199		4.7761	2.8479	2.8479	2.7950	4.5439
O7	2.4683	3.6049	1.2275	3.5199	2.4257	4.7761		2.8479	2.8479	4.5439	2.7950
H8	1.1011	2.1831	2.1831	3.1964	3.1964	2.8479	2.8479		1.7849	4.1853	4.1853
H9	1.1011	2.1831	2.1831	3.1964	3.1964	2.8479	2.8479	1.7849		4.1853	4.1853
H10	3.4862	2.2779	3.4137	1.0929	2.2035	2.7950	4.5439	4.1853	4.1853		2.6874
H11	3.4862	3.4137	2.2779	2.2035	1.0929	4.5439	2.7950	4.1853	4.1853	2.6874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.732	C1	C2	O6	126.828
C1	C3	C5	107.732	C1	C3	O7	126.828
C2	C1	C3	103.783	C2	C1	H8	111.194
C2	C1	H9	111.194	C2	C4	C5	110.376
C2	C4	H10	122.305	C3	C1	H8	111.194
C3	C1	H9	111.194	C3	C5	C4	110.376
C3	C5	H11	122.305	C4	C2	O6	125.440
C4	C5	H11	127.319	C5	C3	O7	125.440
C5	C4	H10	127.319	H8	C1	H9	108.282

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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