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	hartrees
Energy at 0K	-341.928324
Energy at 298.15K	-341.932883
Nuclear repulsion energy	260.383275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3129	5.61
2	A₁	3062	2949	0.35
3	A₁	1617	1557	12.69
4	A₁	1547	1490	1.43
5	A₁	1472	1418	25.50
6	A₁	1231	1186	100.82
7	A₁	1088	1048	30.36
8	A₁	829	798	2.06
9	A₁	559	538	5.16
10	A₁	367	353	16.73
11	A₂	1161	1118	0.00
12	A₂	934	899	0.00
13	A₂	628	604	0.00
14	A₂	250	241	0.00
15	B₁	3129	3014	2.05
16	B₁	978	942	19.19
17	B₁	801	772	42.94
18	B₁	441	425	2.22
19	B₁	91	88	17.68
20	B₂	3217	3098	0.40
21	B₂	1587	1529	184.52
22	B₂	1345	1295	7.41
23	B₂	1290	1242	2.35
24	B₂	1144	1102	0.02
25	B₂	817	787	2.49
26	B₂	689	664	0.70
27	B₂	504	486	2.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.107
C2	0.000	1.220	0.147
C3	0.000	-1.220	0.147
C4	0.000	0.689	-1.274
C5	0.000	-0.689	-1.274
O6	0.000	2.445	0.478
O7	0.000	-2.445	0.478
H8	0.894	0.000	1.755
H9	-0.894	0.000	1.755
H10	0.000	1.351	-2.142
H11	0.000	-1.351	-2.142

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5524	1.5524	2.4785	2.4785	2.5245	2.5245	1.1044	1.1044	3.5185	3.5185
C2	1.5524		2.4400	1.5167	2.3798	1.2688	3.6798	2.2078	2.2078	2.2924	3.4423
C3	1.5524	2.4400		2.3798	1.5167	3.6798	1.2688	2.2078	2.2078	3.4423	2.2924
C4	2.4785	1.5167	2.3798		1.3783	2.4802	3.5904	3.2325	3.2325	1.0917	2.2174
C5	2.4785	2.3798	1.5167	1.3783		3.5904	2.4802	3.2325	3.2325	2.2174	1.0917
O6	2.5245	1.2688	3.6798	2.4802	3.5904		4.8898	2.8997	2.8997	2.8388	4.6124
O7	2.5245	3.6798	1.2688	3.5904	2.4802	4.8898		2.8997	2.8997	4.6124	2.8388
H8	1.1044	2.2078	2.2078	3.2325	3.2325	2.8997	2.8997		1.7883	4.2203	4.2203
H9	1.1044	2.2078	2.2078	3.2325	3.2325	2.8997	2.8997	1.7883		4.2203	4.2203
H10	3.5185	2.2924	3.4423	1.0917	2.2174	2.8388	4.6124	4.2203	4.2203		2.7027
H11	3.5185	3.4423	2.2924	2.2174	1.0917	4.6124	2.8388	4.2203	4.2203	2.7027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.710	C1	C2	O6	126.678
C1	C3	C5	107.710	C1	C3	O7	126.678
C2	C1	C3	103.604	C2	C1	H8	111.283
C2	C1	H9	111.283	C2	C4	C5	110.488
C2	C4	H10	122.168	C3	C1	H8	111.283
C3	C1	H9	111.283	C3	C5	C4	110.488
C3	C5	H11	122.168	C4	C2	O6	125.612
C4	C5	H11	127.344	C5	C3	O7	125.612
C5	C4	H10	127.344	H8	C1	H9	108.113

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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