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	hartrees
Energy at 0K	-342.428011
Energy at 298.15K	-342.432717
Nuclear repulsion energy	265.870228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3127	0.93
2	A₁	3111	2976	0.04
3	A₁	1902	1820	22.21
4	A₁	1668	1596	2.61
5	A₁	1424	1363	19.46
6	A₁	1286	1230	122.57
7	A₁	1073	1027	8.52
8	A₁	863	826	1.65
9	A₁	577	552	3.37
10	A₁	394	377	16.41
11	A₂	1151	1101	0.00
12	A₂	1004	960	0.00
13	A₂	653	624	0.00
14	A₂	247	237	0.00
15	B₁	3168	3030	0.36
16	B₁	972	930	22.43
17	B₁	806	771	23.92
18	B₁	445	426	0.19
19	B₁	85	82	13.62
20	B₂	3246	3105	0.29
21	B₂	1873	1792	352.96
22	B₂	1364	1305	10.23
23	B₂	1262	1207	0.56
24	B₂	1159	1109	0.27
25	B₂	840	803	2.32
26	B₂	697	667	1.03
27	B₂	528	505	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.094
C2	0.000	1.208	0.152
C3	0.000	-1.208	0.152
C4	0.000	0.676	-1.257
C5	0.000	-0.676	-1.257
O6	0.000	2.376	0.466
O7	0.000	-2.376	0.466
H8	0.892	0.000	1.744
H9	-0.892	0.000	1.744
H10	0.000	1.339	-2.127
H11	0.000	-1.339	-2.127

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5320	1.5320	2.4462	2.4462	2.4575	2.4575	1.1033	1.1033	3.4882	3.4882
C2	1.5320		2.4162	1.5061	2.3527	1.2093	3.5977	2.1883	2.1883	2.2827	3.4180
C3	1.5320	2.4162		2.3527	1.5061	3.5977	1.2093	2.1883	2.1883	3.4180	2.2827
C4	2.4462	1.5061	2.3527		1.3519	2.4204	3.5046	3.2027	3.2027	1.0940	2.1951
C5	2.4462	2.3527	1.5061	1.3519		3.5046	2.4204	3.2027	3.2027	2.1951	1.0940
O6	2.4575	1.2093	3.5977	2.4204	3.5046		4.7518	2.8413	2.8413	2.7924	4.5306
O7	2.4575	3.5977	1.2093	3.5046	2.4204	4.7518		2.8413	2.8413	4.5306	2.7924
H8	1.1033	2.1883	2.1883	3.2027	3.2027	2.8413	2.8413		1.7830	4.1919	4.1919
H9	1.1033	2.1883	2.1883	3.2027	3.2027	2.8413	2.8413	1.7830		4.1919	4.1919
H10	3.4882	2.2827	3.4180	1.0940	2.1951	2.7924	4.5306	4.1919	4.1919		2.6787
H11	3.4882	3.4180	2.2827	2.1951	1.0940	4.5306	2.7924	4.1919	4.1919	2.6787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.253	C1	C2	O6	127.007
C1	C3	C5	107.253	C1	C3	O7	127.007
C2	C1	C3	104.112	C2	C1	H8	111.237
C2	C1	H9	111.237	C2	C4	C5	110.691
C2	C4	H10	121.980	C3	C1	H8	111.237
C3	C1	H9	111.237	C3	C5	C4	110.691
C3	C5	H11	121.980	C4	C2	O6	125.740
C4	C5	H11	127.329	C5	C3	O7	125.740
C5	C4	H10	127.329	H8	C1	H9	107.813

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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