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	hartrees
Energy at 0K	-342.438372
Energy at 298.15K	-342.442981
Nuclear repulsion energy	266.197809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3122	1.04
2	A₁	3139	2968	0.00
3	A₁	1835	1735	29.41
4	A₁	1656	1565	2.03
5	A₁	1474	1393	16.79
6	A₁	1288	1218	103.66
7	A₁	1102	1042	9.82
8	A₁	863	816	2.24
9	A₁	581	549	3.72
10	A₁	388	367	18.70
11	A₂	1157	1094	0.00
12	A₂	964	912	0.00
13	A₂	615	582	0.00
14	A₂	230	217	0.00
15	B₁	3195	3020	0.13
16	B₁	975	922	16.68
17	B₁	791	747	37.97
18	B₁	438	414	0.01
19	B₁	73	69	17.45
20	B₂	3282	3103	0.35
21	B₂	1797	1699	483.61
22	B₂	1381	1306	9.20
23	B₂	1285	1215	0.00
24	B₂	1179	1115	3.59
25	B₂	841	795	4.42
26	B₂	699	661	0.47
27	B₂	526	497	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.092
C2	0.000	1.200	0.149
C3	0.000	-1.200	0.149
C4	0.000	0.674	-1.253
C5	0.000	-0.674	-1.253
O6	0.000	2.379	0.466
O7	0.000	-2.379	0.466
H8	0.884	0.000	1.732
H9	-0.884	0.000	1.732
H10	0.000	1.333	-2.110
H11	0.000	-1.333	-2.110

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5262	1.5262	2.4399	2.4399	2.4598	2.4598	1.0911	1.0911	3.4684	3.4684
C2	1.5262		2.4004	1.4976	2.3406	1.2209	3.5932	2.1742	2.1742	2.2630	3.3942
C3	1.5262	2.4004		2.3406	1.4976	3.5932	1.2209	2.1742	2.1742	3.3942	2.2630
C4	2.4399	1.4976	2.3406		1.3481	2.4217	3.5041	3.1853	3.1853	1.0811	2.1824
C5	2.4399	2.3406	1.4976	1.3481		3.5041	2.4217	3.1853	3.1853	2.1824	1.0811
O6	2.4598	1.2209	3.5932	2.4217	3.5041		4.7580	2.8357	2.8357	2.7810	4.5187
O7	2.4598	3.5932	1.2209	3.5041	2.4217	4.7580		2.8357	2.8357	4.5187	2.7810
H8	1.0911	2.1742	2.1742	3.1853	3.1853	2.8357	2.8357		1.7672	4.1617	4.1617
H9	1.0911	2.1742	2.1742	3.1853	3.1853	2.8357	2.8357	1.7672		4.1617	4.1617
H10	3.4684	2.2630	3.3942	1.0811	2.1824	2.7810	4.5187	4.1617	4.1617		2.6661
H11	3.4684	3.3942	2.2630	2.1824	1.0811	4.5187	2.7810	4.1617	4.1617	2.6661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.584	C1	C2	O6	126.765
C1	C3	C5	107.584	C1	C3	O7	126.765
C2	C1	C3	103.694	C2	C1	H8	111.250
C2	C1	H9	111.250	C2	C4	C5	110.569
C2	C4	H10	121.871	C3	C1	H8	111.250
C3	C1	H9	111.250	C3	C5	C4	110.569
C3	C5	H11	121.871	C4	C2	O6	125.651
C4	C5	H11	127.560	C5	C3	O7	125.651
C5	C4	H10	127.560	H8	C1	H9	108.153

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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