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	hartrees
Energy at 0K	-342.417723
Energy at 298.15K	-342.422374
Nuclear repulsion energy	266.352167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3115	1.53
2	A₁	3147	2963	0.02
3	A₁	1862	1753	21.69
4	A₁	1668	1570	1.95
5	A₁	1484	1397	13.89
6	A₁	1293	1217	120.94
7	A₁	1104	1039	10.12
8	A₁	863	813	1.54
9	A₁	580	546	3.75
10	A₁	388	365	17.94
11	A₂	1171	1103	0.00
12	A₂	983	925	0.00
13	A₂	632	595	0.00
14	A₂	237	224	0.00
15	B₁	3202	3014	0.67
16	B₁	983	926	21.00
17	B₁	803	756	30.09
18	B₁	441	415	0.00
19	B₁	82	78	15.61
20	B₂	3287	3095	0.45
21	B₂	1825	1718	380.82
22	B₂	1385	1304	10.77
23	B₂	1285	1210	0.14
24	B₂	1178	1109	1.81
25	B₂	840	791	3.19
26	B₂	700	659	0.66
27	B₂	524	493	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.091
C2	0.000	1.202	0.149
C3	0.000	-1.202	0.149
C4	0.000	0.673	-1.252
C5	0.000	-0.673	-1.252
O6	0.000	2.378	0.465
O7	0.000	-2.378	0.465
H8	0.882	0.000	1.732
H9	-0.882	0.000	1.732
H10	0.000	1.331	-2.109
H11	0.000	-1.331	-2.109

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5270	1.5270	2.4380	2.4380	2.4591	2.4591	1.0905	1.0905	3.4660	3.4660
C2	1.5270		2.4038	1.4981	2.3406	1.2180	3.5940	2.1745	2.1745	2.2623	3.3934
C3	1.5270	2.4038		2.3406	1.4981	3.5940	1.2180	2.1745	2.1745	3.3934	2.2623
C4	2.4380	1.4981	2.3406		1.3455	2.4205	3.5012	3.1839	3.1839	1.0805	2.1791
C5	2.4380	2.3406	1.4981	1.3455		3.5012	2.4205	3.1839	3.1839	2.1791	1.0805
O6	2.4591	1.2180	3.5940	2.4205	3.5012		4.7563	2.8352	2.8352	2.7797	4.5149
O7	2.4591	3.5940	1.2180	3.5012	2.4205	4.7563		2.8352	2.8352	4.5149	2.7797
H8	1.0905	2.1745	2.1745	3.1839	3.1839	2.8352	2.8352		1.7643	4.1601	4.1601
H9	1.0905	2.1745	2.1745	3.1839	3.1839	2.8352	2.8352	1.7643		4.1601	4.1601
H10	3.4660	2.2623	3.3934	1.0805	2.1791	2.7797	4.5149	4.1601	4.1601		2.6613
H11	3.4660	3.3934	2.2623	2.1791	1.0805	4.5149	2.7797	4.1601	4.1601	2.6613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.397	C1	C2	O6	126.876
C1	C3	C5	107.397	C1	C3	O7	126.876
C2	C1	C3	103.836	C2	C1	H8	111.260
C2	C1	H9	111.260	C2	C4	C5	110.685
C2	C4	H10	121.805	C3	C1	H8	111.260
C3	C1	H9	111.260	C3	C5	C4	110.685
C3	C5	H11	121.805	C4	C2	O6	125.727
C4	C5	H11	127.509	C5	C3	O7	125.727
C5	C4	H10	127.509	H8	C1	H9	107.986

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

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

States and conformations

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