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	hartrees
Energy at 0K	-342.738057
Energy at 298.15K	-342.742704
HF Energy	-341.512415
Nuclear repulsion energy	267.471457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3107	0.15
2	A₁	3115	2964	0.76
3	A₁	1783	1696	20.47
4	A₁	1604	1526	5.09
5	A₁	1423	1354	17.25
6	A₁	1269	1207	110.64
7	A₁	1076	1023	10.09
8	A₁	861	820	2.51
9	A₁	573	545	3.22
10	A₁	387	369	15.20
11	A₂	1150	1094	0.00
12	A₂	1008	959	0.00
13	A₂	645	614	0.00
14	A₂	242	231	0.00
15	B₁	3173	3019	0.24
16	B₁	960	913	19.43
17	B₁	814	774	24.17
18	B₁	432	411	0.45
19	B₁	84	80	15.30
20	B₂	3244	3087	0.00
21	B₂	1754	1669	331.62
22	B₂	1352	1287	12.71
23	B₂	1235	1175	2.24
24	B₂	1151	1095	1.00
25	B₂	832	791	4.13
26	B₂	690	657	0.85
27	B₂	522	497	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.084
C2	0.000	1.203	0.151
C3	0.000	-1.203	0.151
C4	0.000	0.672	-1.246
C5	0.000	-0.672	-1.246
O6	0.000	2.370	0.463
O7	0.000	-2.370	0.463
H8	0.881	0.000	1.723
H9	-0.881	0.000	1.723
H10	0.000	1.329	-2.104
H11	0.000	-1.329	-2.104

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5224	1.5224	2.4256	2.4256	2.4501	2.4501	1.0887	1.0887	3.4541	3.4541
C2	1.5224		2.4054	1.4947	2.3381	1.2083	3.5863	2.1671	2.1671	2.2582	3.3904
C3	1.5224	2.4054		2.3381	1.4947	3.5863	1.2083	2.1671	2.1671	3.3904	2.2582
C4	2.4256	1.4947	2.3381		1.3439	2.4093	3.4892	3.1699	3.1699	1.0805	2.1773
C5	2.4256	2.3381	1.4947	1.3439		3.4892	2.4093	3.1699	3.1699	2.1773	1.0805
O6	2.4501	1.2083	3.5863	2.4093	3.4892		4.7400	2.8254	2.8254	2.7695	4.5025
O7	2.4501	3.5863	1.2083	3.4892	2.4093	4.7400		2.8254	2.8254	4.5025	2.7695
H8	1.0887	2.1671	2.1671	3.1699	3.1699	2.8254	2.8254		1.7627	4.1463	4.1463
H9	1.0887	2.1671	2.1671	3.1699	3.1699	2.8254	2.8254	1.7627		4.1463	4.1463
H10	3.4541	2.2582	3.3904	1.0805	2.1773	2.7695	4.5025	4.1463	4.1463		2.6588
H11	3.4541	3.3904	2.2582	2.1773	1.0805	4.5025	2.7695	4.1463	4.1463	2.6588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.013	C1	C2	O6	127.227
C1	C3	C5	107.013	C1	C3	O7	127.227
C2	C1	C3	104.373	C2	C1	H8	111.098
C2	C1	H9	111.098	C2	C4	C5	110.800
C2	C4	H10	121.717	C3	C1	H8	111.098
C3	C1	H9	111.098	C3	C5	C4	110.800
C3	C5	H11	121.717	C4	C2	O6	125.760
C4	C5	H11	127.483	C5	C3	O7	125.760
C5	C4	H10	127.483	H8	C1	H9	108.094

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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