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	hartrees
Energy at 0K	-342.832011
Energy at 298.15K	-342.836741
Nuclear repulsion energy	268.509363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3121	0.16
2	A₁	3128	2970	0.71
3	A₁	1802	1711	19.35
4	A₁	1620	1538	5.52
5	A₁	1433	1361	17.91
6	A₁	1281	1216	112.65
7	A₁	1088	1033	11.16
8	A₁	871	827	2.17
9	A₁	579	550	3.37
10	A₁	391	372	14.97
11	A₂	1156	1097	0.00
12	A₂	1028	976	0.00
13	A₂	659	625	0.00
14	A₂	249	237	0.00
15	B₁	3173	3013	0.17
16	B₁	969	920	22.93
17	B₁	825	783	21.28
18	B₁	439	417	0.56
19	B₁	87	83	14.98
20	B₂	3261	3096	0.00
21	B₂	1773	1684	313.06
22	B₂	1364	1295	13.14
23	B₂	1242	1180	2.66
24	B₂	1161	1102	0.87
25	B₂	839	797	3.76
26	B₂	698	663	1.09
27	B₂	528	501	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.078
C2	0.000	1.191	0.147
C3	0.000	-1.191	0.147
C4	0.000	0.670	-1.239
C5	0.000	-0.670	-1.239
O6	0.000	2.360	0.462
O7	0.000	-2.360	0.462
H8	0.878	0.000	1.715
H9	-0.878	0.000	1.715
H10	0.000	1.321	-2.095
H11	0.000	-1.321	-2.095

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5111	1.5111	2.4123	2.4123	2.4393	2.4393	1.0852	1.0852	3.4366	3.4366
C2	1.5111		2.3811	1.4810	2.3206	1.2115	3.5648	2.1558	2.1558	2.2458	3.3666
C3	1.5111	2.3811		2.3206	1.4810	3.5648	1.2115	2.1558	2.1558	3.3666	2.2458
C4	2.4123	1.4810	2.3206		1.3406	2.3982	3.4756	3.1544	3.1544	1.0747	2.1671
C5	2.4123	2.3206	1.4810	1.3406		3.4756	2.3982	3.1544	3.1544	2.1671	1.0747
O6	2.4393	1.2115	3.5648	2.3982	3.4756		4.7207	2.8130	2.8130	2.7601	4.4821
O7	2.4393	3.5648	1.2115	3.4756	2.3982	4.7207		2.8130	2.8130	4.4821	2.7601
H8	1.0852	2.1558	2.1558	3.1544	3.1544	2.8130	2.8130		1.7565	4.1270	4.1270
H9	1.0852	2.1558	2.1558	3.1544	3.1544	2.8130	2.8130	1.7565		4.1270	4.1270
H10	3.4366	2.2458	3.3666	1.0747	2.1671	2.7601	4.4821	4.1270	4.1270		2.6417
H11	3.4366	3.3666	2.2458	2.1671	1.0747	4.4821	2.7601	4.1270	4.1270	2.6417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.451	C1	C2	O6	126.918
C1	C3	C5	107.451	C1	C3	O7	126.918
C2	C1	C3	103.969	C2	C1	H8	111.206
C2	C1	H9	111.206	C2	C4	C5	110.565
C2	C4	H10	122.182	C3	C1	H8	111.206
C3	C1	H9	111.206	C3	C5	C4	110.565
C3	C5	H11	122.182	C4	C2	O6	125.631
C4	C5	H11	127.253	C5	C3	O7	125.631
C5	C4	H10	127.253	H8	C1	H9	108.062

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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