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	hartrees
Energy at 0K	-341.797342
Energy at 298.15K	-341.802247
Nuclear repulsion energy	265.717255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3346	3129	1.14
2	A₁	3164	2959	0.09
3	A₁	1863	1742	20.17
4	A₁	1710	1599	2.10
5	A₁	1544	1444	19.86
6	A₁	1310	1225	120.01
7	A₁	1146	1072	18.09
8	A₁	888	831	0.88
9	A₁	608	568	6.07
10	A₁	399	373	23.64
11	A₂	1225	1145	0.00
12	A₂	1028	962	0.00
13	A₂	663	620	0.00
14	A₂	273	255	0.00
15	B₁	3214	3006	0.25
16	B₁	1048	980	25.45
17	B₁	829	775	48.34
18	B₁	474	443	0.26
19	B₁	103	97	21.33
20	B₂	3321	3105	0.00
21	B₂	1821	1703	375.21
22	B₂	1426	1333	9.65
23	B₂	1352	1265	0.11
24	B₂	1220	1141	2.69
25	B₂	870	813	0.91
26	B₂	739	691	2.16
27	B₂	543	508	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.093
C2	0.000	1.198	0.147
C3	0.000	-1.198	0.147
C4	0.000	0.672	-1.254
C5	0.000	-0.672	-1.254
O6	0.000	2.387	0.467
O7	0.000	-2.387	0.467
H8	0.882	0.000	1.737
H9	-0.882	0.000	1.737
H10	0.000	1.329	-2.112
H11	0.000	-1.329	-2.112

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5266	1.5266	2.4413	2.4413	2.4673	2.4673	1.0923	1.0923	3.4690	3.4690
C2	1.5266		2.3963	1.4964	2.3369	1.2308	3.5990	2.1778	2.1778	2.2623	3.3891
C3	1.5266	2.3963		2.3369	1.4964	3.5990	1.2308	2.1778	2.1778	3.3891	2.2623
C4	2.4413	1.4964	2.3369		1.3445	2.4292	3.5098	3.1903	3.1903	1.0799	2.1769
C5	2.4413	2.3369	1.4964	1.3445		3.5098	2.4292	3.1903	3.1903	2.1769	1.0799
O6	2.4673	1.2308	3.5990	2.4292	3.5098		4.7732	2.8438	2.8438	2.7872	4.5224
O7	2.4673	3.5990	1.2308	3.5098	2.4292	4.7732		2.8438	2.8438	4.5224	2.7872
H8	1.0923	2.1778	2.1778	3.1903	3.1903	2.8438	2.8438		1.7640	4.1662	4.1662
H9	1.0923	2.1778	2.1778	3.1903	3.1903	2.8438	2.8438	1.7640		4.1662	4.1662
H10	3.4690	2.2623	3.3891	1.0799	2.1769	2.7872	4.5224	4.1662	4.1662		2.6574
H11	3.4690	3.3891	2.2623	2.1769	1.0799	4.5224	2.7872	4.1662	4.1662	2.6574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.716	C1	C2	O6	126.635
C1	C3	C5	107.716	C1	C3	O7	126.635
C2	C1	C3	103.417	C2	C1	H8	111.442
C2	C1	H9	111.442	C2	C4	C5	110.575
C2	C4	H10	121.992	C3	C1	H8	111.442
C3	C1	H9	111.442	C3	C5	C4	110.575
C3	C5	H11	121.992	C4	C2	O6	125.649
C4	C5	H11	127.433	C5	C3	O7	125.649
C5	C4	H10	127.433	H8	C1	H9	107.696

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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