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	hartrees
Energy at 0K	-342.443017
Energy at 298.15K	-342.447676
Nuclear repulsion energy	265.338471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3128	1.18
2	A₁	3104	2978	0.08
3	A₁	1855	1780	24.20
4	A₁	1652	1584	2.27
5	A₁	1421	1363	18.45
6	A₁	1276	1224	121.02
7	A₁	1068	1025	9.35
8	A₁	857	823	1.82
9	A₁	572	549	3.43
10	A₁	388	372	15.54
11	A₂	1145	1099	0.00
12	A₂	997	957	0.00
13	A₂	646	620	0.00
14	A₂	242	232	0.00
15	B₁	3160	3032	0.43
16	B₁	967	927	23.09
17	B₁	803	770	23.41
18	B₁	441	423	0.13
19	B₁	84	80	13.68
20	B₂	3237	3106	0.52
21	B₂	1821	1747	401.75
22	B₂	1354	1299	11.97
23	B₂	1252	1201	0.22
24	B₂	1150	1103	1.30
25	B₂	832	798	3.05
26	B₂	691	663	0.83
27	B₂	521	500	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.095
C2	0.000	1.210	0.152
C3	0.000	-1.210	0.152
C4	0.000	0.677	-1.258
C5	0.000	-0.677	-1.258
O6	0.000	2.383	0.467
O7	0.000	-2.383	0.467
H8	0.892	0.000	1.744
H9	-0.892	0.000	1.744
H10	0.000	1.341	-2.128
H11	0.000	-1.341	-2.128

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5335	1.5335	2.4482	2.4482	2.4640	2.4640	1.1036	1.1036	3.4905	3.4905
C2	1.5335		2.4194	1.5073	2.3555	1.2147	3.6063	2.1897	2.1897	2.2837	3.4214
C3	1.5335	2.4194		2.3555	1.5073	3.6063	1.2147	2.1897	2.1897	3.4214	2.2837
C4	2.4482	1.5073	2.3555		1.3543	2.4261	3.5128	3.2046	3.2046	1.0944	2.1979
C5	2.4482	2.3555	1.5073	1.3543		3.5128	2.4261	3.2046	3.2046	2.1979	1.0944
O6	2.4640	1.2147	3.6063	2.4261	3.5128		4.7657	2.8469	2.8469	2.7962	4.5391
O7	2.4640	3.6063	1.2147	3.5128	2.4261	4.7657		2.8469	2.8469	4.5391	2.7962
H8	1.1036	2.1897	2.1897	3.2046	3.2046	2.8469	2.8469		1.7838	4.1940	4.1940
H9	1.1036	2.1897	2.1897	3.2046	3.2046	2.8469	2.8469	1.7838		4.1940	4.1940
H10	3.4905	2.2837	3.4214	1.0944	2.1979	2.7962	4.5391	4.1940	4.1940		2.6827
H11	3.4905	3.4214	2.2837	2.1979	1.0944	4.5391	2.7962	4.1940	4.1940	2.6827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.233	C1	C2	O6	127.041
C1	C3	C5	107.233	C1	C3	O7	127.041
C2	C1	C3	104.152	C2	C1	H8	111.221
C2	C1	H9	111.221	C2	C4	C5	110.690
C2	C4	H10	121.943	C3	C1	H8	111.221
C3	C1	H9	111.221	C3	C5	C4	110.690
C3	C5	H11	121.943	C4	C2	O6	125.726
C4	C5	H11	127.367	C5	C3	O7	125.726
C5	C4	H10	127.367	H8	C1	H9	107.838

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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