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	hartrees
Energy at 0K	-342.184345
Energy at 298.15K	-342.189212
Nuclear repulsion energy	268.645519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3380	3129	0.42
2	A₁	3210	2972	0.16
3	A₁	1988	1841	30.84
4	A₁	1753	1623	3.50
5	A₁	1527	1414	19.62
6	A₁	1350	1250	131.14
7	A₁	1145	1060	10.25
8	A₁	899	832	1.51
9	A₁	605	560	4.43
10	A₁	409	378	22.76
11	A₂	1222	1131	0.00
12	A₂	1058	979	0.00
13	A₂	675	625	0.00
14	A₂	257	238	0.00
15	B₁	3261	3019	0.07
16	B₁	1037	960	32.64
17	B₁	849	786	32.33
18	B₁	466	431	0.00
19	B₁	92	85	18.88
20	B₂	3359	3109	0.11
21	B₂	1951	1806	528.63
22	B₂	1436	1329	16.32
23	B₂	1347	1247	0.01
24	B₂	1228	1137	3.78
25	B₂	877	812	1.85
26	B₂	727	673	0.96
27	B₂	548	508	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.086
C2	0.000	1.193	0.150
C3	0.000	-1.193	0.150
C4	0.000	0.666	-1.244
C5	0.000	-0.666	-1.244
O6	0.000	2.353	0.460
O7	0.000	-2.353	0.460
H8	0.878	0.000	1.727
H9	-0.878	0.000	1.727
H10	0.000	1.322	-2.099
H11	0.000	-1.322	-2.099

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5164	1.5164	2.4231	2.4231	2.4352	2.4352	1.0877	1.0877	3.4478	3.4478
C2	1.5164		2.3862	1.4903	2.3233	1.2010	3.5600	2.1642	2.1642	2.2520	3.3736
C3	1.5164	2.3862		2.3233	1.4903	3.5600	1.2010	2.1642	2.1642	3.3736	2.2520
C4	2.4231	1.4903	2.3233		1.3313	2.3983	3.4667	3.1693	3.1693	1.0775	2.1636
C5	2.4231	2.3233	1.4903	1.3313		3.4667	2.3983	3.1693	3.1693	2.1636	1.0775
O6	2.4352	1.2010	3.5600	2.3983	3.4667		4.7068	2.8136	2.8136	2.7585	4.4782
O7	2.4352	3.5600	1.2010	3.4667	2.3983	4.7068		2.8136	2.8136	4.4782	2.7585
H8	1.0877	2.1642	2.1642	3.1693	3.1693	2.8136	2.8136		1.7565	4.1421	4.1421
H9	1.0877	2.1642	2.1642	3.1693	3.1693	2.8136	2.8136	1.7565		4.1421	4.1421
H10	3.4478	2.2520	3.3736	1.0775	2.1636	2.7585	4.4782	4.1421	4.1421		2.6441
H11	3.4478	3.3736	2.2520	2.1636	1.0775	4.4782	2.7585	4.1421	4.1421	2.6441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.386	C1	C2	O6	126.925
C1	C3	C5	107.386	C1	C3	O7	126.925
C2	C1	C3	103.772	C2	C1	H8	111.354
C2	C1	H9	111.354	C2	C4	C5	110.727
C2	C4	H10	121.742	C3	C1	H8	111.354
C3	C1	H9	111.354	C3	C5	C4	110.727
C3	C5	H11	121.742	C4	C2	O6	125.689
C4	C5	H11	127.530	C5	C3	O7	125.689
C5	C4	H10	127.530	H8	C1	H9	107.695

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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