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	hartrees
Energy at 0K	-342.546487
Energy at 298.15K	-342.550907
HF Energy	-341.487712
Nuclear repulsion energy	267.104991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3106	0.57
2	A₁	3121	2958	0.31
3	A₁	1781	1689	18.42
4	A₁	1610	1526	4.38
5	A₁	1438	1363	17.76
6	A₁	1266	1200	112.51
7	A₁	1085	1028	12.34
8	A₁	857	812	2.79
9	A₁	577	547	3.81
10	A₁	390	370	14.48
11	A₂	1142	1083	0.00
12	A₂	887	841	0.00
13	A₂	597	566	0.00
14	A₂	193	183	0.00
15	B₁	3181	3015	0.00
16	B₁	942	893	11.30
17	B₁	754	715	37.60
18	B₁	411	389	0.29
19	B₁	40	37	14.69
20	B₂	3255	3086	0.03
21	B₂	1752	1661	319.41
22	B₂	1360	1289	12.71
23	B₂	1262	1197	2.39
24	B₂	1155	1095	1.18
25	B₂	832	789	4.60
26	B₂	694	658	0.60
27	B₂	529	501	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.085
C2	0.000	1.205	0.151
C3	0.000	-1.205	0.151
C4	0.000	0.672	-1.248
C5	0.000	-0.672	-1.248
O6	0.000	2.374	0.464
O7	0.000	-2.374	0.464
H8	0.884	0.000	1.724
H9	-0.884	0.000	1.724
H10	0.000	1.331	-2.106
H11	0.000	-1.331	-2.106

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5250	1.5250	2.4278	2.4278	2.4540	2.4540	1.0905	1.0905	3.4572	3.4572
C2	1.5250		2.4102	1.4967	2.3406	1.2103	3.5929	2.1700	2.1700	2.2596	3.3947
C3	1.5250	2.4102		2.3406	1.4967	3.5929	1.2103	2.1700	2.1700	3.3947	2.2596
C4	2.4278	1.4967	2.3406		1.3436	2.4142	3.4940	3.1724	3.1724	1.0819	2.1791
C5	2.4278	2.3406	1.4967	1.3436		3.4940	2.4142	3.1724	3.1724	2.1791	1.0819
O6	2.4540	1.2103	3.5929	2.4142	3.4940		4.7482	2.8293	2.8293	2.7729	4.5093
O7	2.4540	3.5929	1.2103	3.4940	2.4142	4.7482		2.8293	2.8293	4.5093	2.7729
H8	1.0905	2.1700	2.1700	3.1724	3.1724	2.8293	2.8293		1.7677	4.1494	4.1494
H9	1.0905	2.1700	2.1700	3.1724	3.1724	2.8293	2.8293	1.7677		4.1494	4.1494
H10	3.4572	2.2596	3.3947	1.0819	2.1791	2.7729	4.5093	4.1494	4.1494		2.6630
H11	3.4572	3.3947	2.2596	2.1791	1.0819	4.5093	2.7729	4.1494	4.1494	2.6630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	106.918	C1	C2	O6	127.201
C1	C3	C5	106.918	C1	C3	O7	127.201
C2	C1	C3	104.416	C2	C1	H8	111.035
C2	C1	H9	111.035	C2	C4	C5	110.874
C2	C4	H10	121.556	C3	C1	H8	111.035
C3	C1	H9	111.035	C3	C5	C4	110.874
C3	C5	H11	121.556	C4	C2	O6	125.881
C4	C5	H11	127.570	C5	C3	O7	125.881
C5	C4	H10	127.570	H8	C1	H9	108.288

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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