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	hartrees
Energy at 0K	-342.412572
Energy at 298.15K	-342.417213
Nuclear repulsion energy	266.717308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3102	0.65
2	A₁	3162	2954	0.34
3	A₁	1813	1694	15.19
4	A₁	1637	1529	4.28
5	A₁	1474	1377	15.37
6	A₁	1291	1206	122.51
7	A₁	1099	1027	10.98
8	A₁	869	812	1.31
9	A₁	578	540	3.60
10	A₁	387	361	15.58
11	A₂	1166	1090	0.00
12	A₂	981	917	0.00
13	A₂	632	591	0.00
14	A₂	236	221	0.00
15	B₁	3224	3012	0.03
16	B₁	974	910	20.48
17	B₁	809	756	27.75
18	B₁	439	410	0.23
19	B₁	82	77	14.89
20	B₂	3299	3083	0.03
21	B₂	1786	1669	253.32
22	B₂	1381	1291	12.01
23	B₂	1270	1187	2.32
24	B₂	1173	1096	0.66
25	B₂	841	786	2.87
26	B₂	700	654	0.84
27	B₂	522	488	1.12

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	0.465
O7	0.000	-2.379	0.465
H8	0.880	0.000	1.726
H9	-0.880	0.000	1.726
H10	0.000	1.329	-2.105
H11	0.000	-1.329	-2.105

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5208	1.5208	2.4266	2.4266	2.4582	2.4582	1.0892	1.0892	3.4553	3.4553
C2	1.5208		2.3945	1.4885	2.3329	1.2234	3.5900	2.1684	2.1684	2.2557	3.3839
C3	1.5208	2.3945		2.3329	1.4885	3.5900	1.2234	2.1684	2.1684	3.3839	2.2557
C4	2.4266	1.4885	2.3329		1.3476	2.4154	3.4993	3.1725	3.1725	1.0797	2.1787
C5	2.4266	2.3329	1.4885	1.3476		3.4993	2.4154	3.1725	3.1725	2.1787	1.0797
O6	2.4582	1.2234	3.5900	2.4154	3.4993		4.7574	2.8328	2.8328	2.7757	4.5106
O7	2.4582	3.5900	1.2234	3.4993	2.4154	4.7574		2.8328	2.8328	4.5106	2.7757
H8	1.0892	2.1684	2.1684	3.1725	3.1725	2.8328	2.8328		1.7607	4.1493	4.1493
H9	1.0892	2.1684	2.1684	3.1725	3.1725	2.8328	2.8328	1.7607		4.1493	4.1493
H10	3.4553	2.2557	3.3839	1.0797	2.1787	2.7757	4.5106	4.1493	4.1493		2.6572
H11	3.4553	3.3839	2.2557	2.1787	1.0797	4.5106	2.7757	4.1493	4.1493	2.6572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.481	C1	C2	O6	126.885
C1	C3	C5	107.481	C1	C3	O7	126.885
C2	C1	C3	103.857	C2	C1	H8	111.290
C2	C1	H9	111.290	C2	C4	C5	110.591
C2	C4	H10	122.073	C3	C1	H8	111.290
C3	C1	H9	111.290	C3	C5	C4	110.591
C3	C5	H11	122.073	C4	C2	O6	125.634
C4	C5	H11	127.336	C5	C3	O7	125.634
C5	C4	H10	127.336	H8	C1	H9	107.853

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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