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	hartrees
Energy at 0K	-342.841534
Energy at 298.15K	-342.846967
Nuclear repulsion energy	269.452715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3416	3416	1.31
2	A₁	3237	3237	0.34
3	A₁	2064	2064	45.60
4	A₁	1797	1797	2.48
5	A₁	1563	1563	17.84
6	A₁	1373	1373	145.07
7	A₁	1167	1167	8.30
8	A₁	908	908	2.13
9	A₁	617	617	4.91
10	A₁	422	422	26.31
11	A₂	1259	1259	0.00
12	A₂	1119	1119	0.00
13	A₂	712	712	0.00
14	A₂	272	272	0.00
15	B₁	3286	3286	1.17
16	B₁	1075	1075	37.76
17	B₁	881	881	28.15
18	B₁	484	484	0.37
19	B₁	99	99	20.61
20	B₂	3393	3393	1.05
21	B₂	2025	2025	762.70
22	B₂	1469	1469	18.02
23	B₂	1385	1385	1.80
24	B₂	1246	1246	7.84
25	B₂	888	888	1.51
26	B₂	740	740	0.91
27	B₂	565	565	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.091
C2	0.000	1.196	0.152
C3	0.000	-1.196	0.152
C4	0.000	0.664	-1.245
C5	0.000	-0.664	-1.245
O6	0.000	2.340	0.457
O7	0.000	-2.340	0.457
H8	0.878	0.000	1.730
H9	-0.878	0.000	1.730
H10	0.000	1.318	-2.099
H11	0.000	-1.318	-2.099

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5205	1.5205	2.4281	2.4281	2.4241	2.4241	1.0864	1.0864	3.4513	3.4513
C2	1.5205		2.3929	1.4954	2.3265	1.1833	3.5494	2.1663	2.1663	2.2546	3.3751
C3	1.5205	2.3929		2.3265	1.4954	3.5494	1.1833	2.1663	2.1663	3.3751	2.2546
C4	2.4281	1.4954	2.3265		1.3275	2.3888	3.4523	3.1725	3.1725	1.0759	2.1580
C5	2.4281	2.3265	1.4954	1.3275		3.4523	2.3888	3.1725	3.1725	2.1580	1.0759
O6	2.4241	1.1833	3.5494	2.3888	3.4523		4.6797	2.8049	2.8049	2.7527	4.4625
O7	2.4241	3.5494	1.1833	3.4523	2.3888	4.6797		2.8049	2.8049	4.4625	2.7527
H8	1.0864	2.1663	2.1663	3.1725	3.1725	2.8049	2.8049		1.7561	4.1440	4.1440
H9	1.0864	2.1663	2.1663	3.1725	3.1725	2.8049	2.8049	1.7561		4.1440	4.1440
H10	3.4513	2.2546	3.3751	1.0759	2.1580	2.7527	4.4625	4.1440	4.1440		2.6362
H11	3.4513	3.3751	2.2546	2.1580	1.0759	4.4625	2.7527	4.1440	4.1440	2.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.237	C1	C2	O6	126.970
C1	C3	C5	107.237	C1	C3	O7	126.970
C2	C1	C3	103.788	C2	C1	H8	111.309
C2	C1	H9	111.309	C2	C4	C5	110.869
C2	C4	H10	121.670	C3	C1	H8	111.309
C3	C1	H9	111.309	C3	C5	C4	110.869
C3	C5	H11	121.670	C4	C2	O6	125.793
C4	C5	H11	127.461	C5	C3	O7	125.793
C5	C4	H10	127.461	H8	C1	H9	107.847

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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