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	hartrees
Energy at 0K	-342.386671
Energy at 298.15K	-342.391308
Nuclear repulsion energy	266.194573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3107	1.25
2	A₁	3105	2957	0.01
3	A₁	1860	1771	21.81
4	A₁	1664	1585	2.38
5	A₁	1480	1409	16.76
6	A₁	1294	1232	119.21
7	A₁	1100	1048	11.83
8	A₁	864	823	1.50
9	A₁	581	553	3.92
10	A₁	389	370	18.10
11	A₂	1171	1115	0.00
12	A₂	971	925	0.00
13	A₂	634	603	0.00
14	A₂	239	228	0.00
15	B₁	3154	3003	0.34
16	B₁	987	940	23.41
17	B₁	798	760	33.24
18	B₁	443	422	0.08
19	B₁	85	81	16.21
20	B₂	3242	3088	0.39
21	B₂	1823	1736	386.06
22	B₂	1376	1310	12.65
23	B₂	1284	1223	0.45
24	B₂	1180	1123	1.65
25	B₂	841	801	2.70
26	B₂	700	667	0.86
27	B₂	524	499	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.091
C2	0.000	1.202	0.149
C3	0.000	-1.202	0.149
C4	0.000	0.673	-1.252
C5	0.000	-0.673	-1.252
O6	0.000	2.379	0.465
O7	0.000	-2.379	0.465
H8	0.885	0.000	1.739
H9	-0.885	0.000	1.739
H10	0.000	1.335	-2.114
H11	0.000	-1.335	-2.114

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5268	1.5268	2.4385	2.4385	2.4596	2.4596	1.0967	1.0967	3.4723	3.4723
C2	1.5268		2.4032	1.4982	2.3407	1.2184	3.5940	2.1804	2.1804	2.2672	3.3998
C3	1.5268	2.4032		2.3407	1.4982	3.5940	1.2184	2.1804	2.1804	3.3998	2.2672
C4	2.4385	1.4982	2.3407		1.3458	2.4204	3.5014	3.1913	3.1913	1.0867	2.1852
C5	2.4385	2.3407	1.4982	1.3458		3.5014	2.4204	3.1913	3.1913	2.1852	1.0867
O6	2.4596	1.2184	3.5940	2.4204	3.5014		4.7570	2.8397	2.8397	2.7817	4.5214
O7	2.4596	3.5940	1.2184	3.5014	2.4204	4.7570		2.8397	2.8397	4.5214	2.7817
H8	1.0967	2.1804	2.1804	3.1913	3.1913	2.8397	2.8397		1.7702	4.1726	4.1726
H9	1.0967	2.1804	2.1804	3.1913	3.1913	2.8397	2.8397	1.7702		4.1726	4.1726
H10	3.4723	2.2672	3.3998	1.0867	2.1852	2.7817	4.5214	4.1726	4.1726		2.6708
H11	3.4723	3.3998	2.2672	2.1852	1.0867	4.5214	2.7817	4.1726	4.1726	2.6708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.427	C1	C2	O6	126.900
C1	C3	C5	107.427	C1	C3	O7	126.900
C2	C1	C3	103.815	C2	C1	H8	111.365
C2	C1	H9	111.365	C2	C4	C5	110.665
C2	C4	H10	121.769	C3	C1	H8	111.365
C3	C1	H9	111.365	C3	C5	C4	110.665
C3	C5	H11	121.769	C4	C2	O6	125.672
C4	C5	H11	127.565	C5	C3	O7	125.672
C5	C4	H10	127.565	H8	C1	H9	107.613

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

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

States and conformations

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