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	hartrees
Energy at 0K	-337.390753
Energy at 298.15K	-337.395053
Nuclear repulsion energy	258.850318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3539	3085	1.44
2	A₁	3397	2962	1.35
3	A₁	1776	1548	1.56
4	A₁	1694	1477	1.75
5	A₁	1665	1452	2.91
6	A₁	1291	1125	106.59
7	A₁	1151	1004	4.91
8	A₁	868	756	0.76
9	A₁	578	504	0.81
10	A₁	383	334	8.83
11	A₂	1256	1095	0.00
12	A₂	1044	910	0.00
13	A₂	649	566	0.00
14	A₂	254	222	0.00
15	B₁	3509	3060	0.02
16	B₁	1018	888	7.97
17	B₁	818	714	10.86
18	B₁	453	395	0.09
19	B₁	83	72	3.99
20	B₂	3512	3062	7.51
21	B₂	1745	1521	28.85
22	B₂	1453	1267	2.87
23	B₂	1379	1202	0.73
24	B₂	1185	1033	0.42
25	B₂	881	768	2.87
26	B₂	724	632	0.70
27	B₂	531	463	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.120
C2	0.000	1.241	0.150
C3	0.000	-1.241	0.150
C4	0.000	0.678	-1.285
C5	0.000	-0.678	-1.285
O6	0.000	2.460	0.480
O7	0.000	-2.460	0.480
H8	0.895	0.000	1.772
H9	-0.895	0.000	1.772
H10	0.000	1.330	-2.172
H11	0.000	-1.330	-2.172

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5751	1.5751	2.4987	2.4987	2.5414	2.5414	1.1067	1.1067	3.5505	3.5505
C2	1.5751		2.4822	1.5415	2.3963	1.2623	3.7153	2.2291	2.2291	2.3239	3.4643
C3	1.5751	2.4822		2.3963	1.5415	3.7153	1.2623	2.2291	2.2291	3.4643	2.3239
C4	2.4987	1.5415	2.3963		1.3561	2.5078	3.5999	3.2558	3.2558	1.1008	2.1949
C5	2.4987	2.3963	1.5415	1.3561		3.5999	2.5078	3.2558	3.2558	2.1949	1.1008
O6	2.5414	1.2623	3.7153	2.5078	3.5999		4.9191	2.9184	2.9184	2.8829	4.6251
O7	2.5414	3.7153	1.2623	3.5999	2.5078	4.9191		2.9184	2.9184	4.6251	2.8829
H8	1.1067	2.2291	2.2291	3.2558	3.2558	2.9184	2.9184		1.7897	4.2566	4.2566
H9	1.1067	2.2291	2.2291	3.2558	3.2558	2.9184	2.9184	1.7897		4.2566	4.2566
H10	3.5505	2.3239	3.4643	1.1008	2.1949	2.8829	4.6251	4.2566	4.2566		2.6592
H11	3.5505	3.4643	2.3239	2.1949	1.1008	4.6251	2.8829	4.2566	4.2566	2.6592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	106.585	C1	C2	O6	126.840
C1	C3	C5	106.585	C1	C3	O7	126.840
C2	C1	C3	103.985	C2	C1	H8	111.243
C2	C1	H9	111.243	C2	C4	C5	111.423
C2	C4	H10	122.283	C3	C1	H8	111.243
C3	C1	H9	111.243	C3	C5	C4	111.423
C3	C5	H11	122.283	C4	C2	O6	126.575
C4	C5	H11	126.294	C5	C3	O7	126.575
C5	C4	H10	126.294	H8	C1	H9	107.910

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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