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	hartrees
Energy at 0K	-342.826731
Energy at 298.15K	-342.832179
Nuclear repulsion energy	269.434436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3435	3236	1.15
2	A₁	3249	3062	0.13
3	A₁	2069	1949	40.47
4	A₁	1800	1696	2.27
5	A₁	1572	1481	18.06
6	A₁	1377	1298	143.23
7	A₁	1178	1110	8.96
8	A₁	910	857	2.08
9	A₁	620	584	5.15
10	A₁	421	397	27.24
11	A₂	1267	1194	0.00
12	A₂	1126	1060	0.00
13	A₂	708	667	0.00
14	A₂	274	258	0.00
15	B₁	3297	3106	0.99
16	B₁	1081	1019	39.16
17	B₁	885	834	33.18
18	B₁	485	457	0.45
19	B₁	99	94	21.07
20	B₂	3413	3216	0.86
21	B₂	2030	1912	712.79
22	B₂	1481	1395	17.57
23	B₂	1397	1316	1.49
24	B₂	1255	1183	9.05
25	B₂	892	840	1.63
26	B₂	743	700	0.84
27	B₂	565	532	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.085
C2	0.000	1.197	0.147
C3	0.000	-1.197	0.147
C4	0.000	0.674	-1.246
C5	0.000	-0.674	-1.246
O6	0.000	2.379	0.464
O7	0.000	-2.379	0.464
H8	0.883	0.000	1.733
H9	-0.883	0.000	1.733
H10	0.000	1.333	-2.108
H11	0.000	-1.333	-2.108

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5210	1.5210	2.4272	2.4272	2.4590	2.4590	1.0947	1.0947	3.4607	3.4607
C2	1.5210		2.3943	1.4887	2.3330	1.2238	3.5904	2.1739	2.1739	2.2595	3.3897
C3	1.5210	2.3943		2.3330	1.4887	3.5904	1.2238	2.1739	2.1739	3.3897	2.2595
C4	2.4272	1.4887	2.3330		1.3477	2.4154	3.4996	3.1793	3.1793	1.0851	2.1843
C5	2.4272	2.3330	1.4887	1.3477		3.4996	2.4154	3.1793	3.1793	2.1843	1.0851
O6	2.4590	1.2238	3.5904	2.4154	3.4996		4.7585	2.8372	2.8372	2.7768	4.5165
O7	2.4590	3.5904	1.2238	3.4996	2.4154	4.7585		2.8372	2.8372	4.5165	2.7768
H8	1.0947	2.1739	2.1739	3.1793	3.1793	2.8372	2.8372		1.7657	4.1604	4.1604
H9	1.0947	2.1739	2.1739	3.1793	3.1793	2.8372	2.8372	1.7657		4.1604	4.1604
H10	3.4607	2.2595	3.3897	1.0851	2.1843	2.7768	4.5165	4.1604	4.1604		2.6665
H11	3.4607	3.3897	2.2595	2.1843	1.0851	4.5165	2.7768	4.1604	4.1604	2.6665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.316	C1	C2	O6	126.938
C1	C3	C5	107.316	C1	C3	O7	126.938
C2	C1	C3	103.686	C2	C1	H8	111.313
C2	C1	H9	111.313	C2	C4	C5	110.841
C2	C4	H10	121.692	C3	C1	H8	111.313
C3	C1	H9	111.313	C3	C5	C4	110.841
C3	C5	H11	121.692	C4	C2	O6	125.747
C4	C5	H11	127.466	C5	C3	O7	125.747
C5	C4	H10	127.466	H8	C1	H9	107.927

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

using model chemistry: G2

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: G2

States and conformations

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