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	hartrees
Energy at 0K	-342.366023
Energy at 298.15K	-342.370716
Nuclear repulsion energy	267.046626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	3095	0.48
2	A₁	3137	2944	0.29
3	A₁	1921	1803	21.49
4	A₁	1682	1579	3.58
5	A₁	1488	1397	18.00
6	A₁	1308	1228	123.63
7	A₁	1110	1041	10.90
8	A₁	874	821	1.12
9	A₁	590	553	4.08
10	A₁	396	372	19.69
11	A₂	1178	1105	0.00
12	A₂	975	915	0.00
13	A₂	639	599	0.00
14	A₂	243	228	0.00
15	B₁	3186	2991	0.04
16	B₁	994	933	23.05
17	B₁	801	752	34.46
18	B₁	448	420	0.20
19	B₁	88	82	16.73
20	B₂	3278	3076	0.05
21	B₂	1889	1773	366.61
22	B₂	1390	1305	12.04
23	B₂	1295	1216	0.78
24	B₂	1193	1120	0.69
25	B₂	851	799	1.68
26	B₂	710	667	1.28
27	B₂	532	499	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.091
C2	0.000	1.198	0.149
C3	0.000	-1.198	0.149
C4	0.000	0.672	-1.250
C5	0.000	-0.672	-1.250
O6	0.000	2.368	0.463
O7	0.000	-2.368	0.463
H8	0.883	0.000	1.737
H9	-0.883	0.000	1.737
H10	0.000	1.333	-2.109
H11	0.000	-1.333	-2.109

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5241	1.5241	2.4355	2.4355	2.4502	2.4502	1.0944	1.0944	3.4668	3.4668
C2	1.5241		2.3966	1.4950	2.3356	1.2111	3.5802	2.1766	2.1766	2.2625	3.3923
C3	1.5241	2.3966		2.3356	1.4950	3.5802	1.2111	2.1766	2.1766	3.3923	2.2625
C4	2.4355	1.4950	2.3356		1.3436	2.4104	3.4891	3.1865	3.1865	1.0842	2.1811
C5	2.4355	2.3356	1.4950	1.3436		3.4891	2.4104	3.1865	3.1865	2.1811	1.0842
O6	2.4502	1.2111	3.5802	2.4104	3.4891		4.7364	2.8308	2.8308	2.7723	4.5069
O7	2.4502	3.5802	1.2111	3.4891	2.4104	4.7364		2.8308	2.8308	4.5069	2.7723
H8	1.0944	2.1766	2.1766	3.1865	3.1865	2.8308	2.8308		1.7670	4.1654	4.1654
H9	1.0944	2.1766	2.1766	3.1865	3.1865	2.8308	2.8308	1.7670		4.1654	4.1654
H10	3.4668	2.2625	3.3923	1.0842	2.1811	2.7723	4.5069	4.1654	4.1654		2.6658
H11	3.4668	3.3923	2.2625	2.1811	1.0842	4.5069	2.7723	4.1654	4.1654	2.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.544	C1	C2	O6	126.845
C1	C3	C5	107.544	C1	C3	O7	126.845
C2	C1	C3	103.668	C2	C1	H8	111.390
C2	C1	H9	111.390	C2	C4	C5	110.622
C2	C4	H10	121.806	C3	C1	H8	111.390
C3	C1	H9	111.390	C3	C5	C4	110.622
C3	C5	H11	121.806	C4	C2	O6	125.610
C4	C5	H11	127.573	C5	C3	O7	125.610
C5	C4	H10	127.573	H8	C1	H9	107.656

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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