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	hartrees
Energy at 0K	-342.620214
Energy at 298.15K	-342.624828
Nuclear repulsion energy	266.830204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3088	1.11
2	A₁	3112	2947	0.09
3	A₁	1803	1708	16.80
4	A₁	1614	1528	5.08
5	A₁	1454	1377	20.72
6	A₁	1274	1206	119.28
7	A₁	1080	1023	14.55
8	A₁	862	816	2.01
9	A₁	575	544	3.99
10	A₁	387	367	14.59
11	A₂	1163	1102	0.00
12	A₂	969	918	0.00
13	A₂	639	606	0.00
14	A₂	236	224	0.00
15	B₁	3169	3002	0.03
16	B₁	966	915	23.93
17	B₁	797	755	32.27
18	B₁	435	412	1.36
19	B₁	78	73	14.14
20	B₂	3240	3068	0.26
21	B₂	1776	1682	290.83
22	B₂	1355	1284	13.56
23	B₂	1258	1192	4.11
24	B₂	1157	1095	0.79
25	B₂	836	792	2.82
26	B₂	693	656	1.12
27	B₂	519	492	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.085
C2	0.000	1.201	0.150
C3	0.000	-1.201	0.150
C4	0.000	0.675	-1.248
C5	0.000	-0.675	-1.248
O6	0.000	2.374	0.464
O7	0.000	-2.374	0.464
H8	0.883	0.000	1.731
H9	-0.883	0.000	1.731
H10	0.000	1.334	-2.110
H11	0.000	-1.334	-2.110

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5220	1.5220	2.4283	2.4283	2.4537	2.4537	1.0936	1.0936	3.4620	3.4620
C2	1.5220		2.4015	1.4932	2.3387	1.2144	3.5884	2.1726	2.1726	2.2633	3.3955
C3	1.5220	2.4015		2.3387	1.4932	3.5884	1.2144	2.1726	2.1726	3.3955	2.2633
C4	2.4283	1.4932	2.3387		1.3492	2.4119	3.4961	3.1787	3.1787	1.0852	2.1856
C5	2.4283	2.3387	1.4932	1.3492		3.4961	2.4119	3.1787	3.1787	2.1856	1.0852
O6	2.4537	1.2144	3.5884	2.4119	3.4961		4.7476	2.8316	2.8316	2.7759	4.5134
O7	2.4537	3.5884	1.2144	3.4961	2.4119	4.7476		2.8316	2.8316	4.5134	2.7759
H8	1.0936	2.1726	2.1726	3.1787	3.1787	2.8316	2.8316		1.7653	4.1601	4.1601
H9	1.0936	2.1726	2.1726	3.1787	3.1787	2.8316	2.8316	1.7653		4.1601	4.1601
H10	3.4620	2.2633	3.3955	1.0852	2.1856	2.7759	4.5134	4.1601	4.1601		2.6677
H11	3.4620	3.3955	2.2633	2.1856	1.0852	4.5134	2.7759	4.1601	4.1601	2.6677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.283	C1	C2	O6	127.083
C1	C3	C5	107.283	C1	C3	O7	127.083
C2	C1	C3	104.169	C2	C1	H8	111.271
C2	C1	H9	111.271	C2	C4	C5	110.632
C2	C4	H10	121.962	C3	C1	H8	111.271
C3	C1	H9	111.271	C3	C5	C4	110.632
C3	C5	H11	121.962	C4	C2	O6	125.633
C4	C5	H11	127.406	C5	C3	O7	125.633
C5	C4	H10	127.406	H8	C1	H9	107.634

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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