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	hartrees
Energy at 0K	-342.579484
Energy at 298.15K	-342.584137
Nuclear repulsion energy	267.186416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3102	0.04
2	A₁	3132	2958	1.08
3	A₁	1811	1710	16.87
4	A₁	1611	1521	5.50
5	A₁	1435	1355	15.37
6	A₁	1273	1202	112.60
7	A₁	1076	1017	11.64
8	A₁	862	814	1.60
9	A₁	570	539	3.05
10	A₁	389	368	14.55
11	A₂	1151	1087	0.00
12	A₂	1018	961	0.00
13	A₂	651	615	0.00
14	A₂	243	230	0.00
15	B₁	3192	3015	0.29
16	B₁	967	913	22.86
17	B₁	819	773	17.40
18	B₁	438	414	0.33
19	B₁	80	76	14.22
20	B₂	3263	3082	0.09
21	B₂	1784	1685	276.24
22	B₂	1349	1275	13.77
23	B₂	1240	1171	2.66
24	B₂	1151	1087	0.52
25	B₂	834	788	2.61
26	B₂	690	652	1.06
27	B₂	522	493	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.086
C2	0.000	1.199	0.149
C3	0.000	-1.199	0.149
C4	0.000	0.673	-1.246
C5	0.000	-0.673	-1.246
O6	0.000	2.371	0.462
O7	0.000	-2.371	0.462
H8	0.882	0.000	1.730
H9	-0.882	0.000	1.730
H10	0.000	1.331	-2.105
H11	0.000	-1.331	-2.105

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5216	1.5216	2.4266	2.4266	2.4516	2.4516	1.0920	1.0920	3.4571	3.4571
C2	1.5216		2.3977	1.4903	2.3342	1.2133	3.5836	2.1713	2.1713	2.2574	3.3882
C3	1.5216	2.3977		2.3342	1.4903	3.5836	1.2133	2.1713	2.1713	3.3882	2.2574
C4	2.4266	1.4903	2.3342		1.3460	2.4082	3.4903	3.1755	3.1755	1.0823	2.1807
C5	2.4266	2.3342	1.4903	1.3460		3.4903	2.4082	3.1755	3.1755	2.1807	1.0823
O6	2.4516	1.2133	3.5836	2.4082	3.4903		4.7420	2.8295	2.8295	2.7693	4.5051
O7	2.4516	3.5836	1.2133	3.4903	2.4082	4.7420		2.8295	2.8295	4.5051	2.7693
H8	1.0920	2.1713	2.1713	3.1755	3.1755	2.8295	2.8295		1.7638	4.1537	4.1537
H9	1.0920	2.1713	2.1713	3.1755	3.1755	2.8295	2.8295	1.7638		4.1537	4.1537
H10	3.4571	2.2574	3.3882	1.0823	2.1807	2.7693	4.5051	4.1537	4.1537		2.6627
H11	3.4571	3.3882	2.2574	2.1807	1.0823	4.5051	2.7693	4.1537	4.1537	2.6627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.348	C1	C2	O6	127.025
C1	C3	C5	107.348	C1	C3	O7	127.025
C2	C1	C3	103.981	C2	C1	H8	111.295
C2	C1	H9	111.295	C2	C4	C5	110.661
C2	C4	H10	121.873	C3	C1	H8	111.295
C3	C1	H9	111.295	C3	C5	C4	110.661
C3	C5	H11	121.873	C4	C2	O6	125.626
C4	C5	H11	127.466	C5	C3	O7	125.626
C5	C4	H10	127.466	H8	C1	H9	107.720

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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