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	hartrees
Energy at 0K	-337.393142
Energy at 298.15K	-337.397443
Nuclear repulsion energy	258.886809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3539	3146	1.45
2	A₁	3397	3020	1.36
3	A₁	1776	1579	1.56
4	A₁	1695	1506	1.75
5	A₁	1665	1480	2.93
6	A₁	1291	1148	106.55
7	A₁	1152	1024	4.87
8	A₁	868	772	0.76
9	A₁	578	514	0.81
10	A₁	384	341	8.82
11	A₂	1257	1117	0.00
12	A₂	1044	928	0.00
13	A₂	649	577	0.00
14	A₂	255	226	0.00
15	B₁	3510	3120	0.02
16	B₁	1018	905	7.98
17	B₁	818	728	10.84
18	B₁	453	403	0.09
19	B₁	83	74	3.99
20	B₂	3513	3123	7.50
21	B₂	1745	1551	28.78
22	B₂	1454	1292	2.88
23	B₂	1379	1226	0.74
24	B₂	1186	1054	0.42
25	B₂	881	783	2.86
26	B₂	725	644	0.70
27	B₂	531	472	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.120
C2	0.000	1.241	0.150
C3	0.000	-1.241	0.150
C4	0.000	0.678	-1.284
C5	0.000	-0.678	-1.284
O6	0.000	2.459	0.480
O7	0.000	-2.459	0.480
H8	0.895	0.000	1.771
H9	-0.895	0.000	1.771
H10	0.000	1.329	-2.171
H11	0.000	-1.329	-2.171

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5748	1.5748	2.4982	2.4982	2.5411	2.5411	1.1066	1.1066	3.5499	3.5499
C2	1.5748		2.4817	1.5412	2.3959	1.2623	3.7148	2.2288	2.2288	2.3236	3.4638
C3	1.5748	2.4817		2.3959	1.5412	3.7148	1.2623	2.2288	2.2288	3.4638	2.3236
C4	2.4982	1.5412	2.3959		1.3559	2.5074	3.5995	3.2553	3.2553	1.1007	2.1947
C5	2.4982	2.3959	1.5412	1.3559		3.5995	2.5074	3.2553	3.2553	2.1947	1.1007
O6	2.5411	1.2623	3.7148	2.5074	3.5995		4.9185	2.9180	2.9180	2.8825	4.6246
O7	2.5411	3.7148	1.2623	3.5995	2.5074	4.9185		2.9180	2.9180	4.6246	2.8825
H8	1.1066	2.2288	2.2288	3.2553	3.2553	2.9180	2.9180		1.7894	4.2560	4.2560
H9	1.1066	2.2288	2.2288	3.2553	3.2553	2.9180	2.9180	1.7894		4.2560	4.2560
H10	3.5499	2.3236	3.4638	1.1007	2.1947	2.8825	4.6246	4.2560	4.2560		2.6589
H11	3.5499	3.4638	2.3236	2.1947	1.1007	4.6246	2.8825	4.2560	4.2560	2.6589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	106.585	C1	C2	O6	126.840
C1	C3	C5	106.585	C1	C3	O7	126.840
C2	C1	C3	103.987	C2	C1	H8	111.245
C2	C1	H9	111.245	C2	C4	C5	111.421
C2	C4	H10	122.286	C3	C1	H8	111.245
C3	C1	H9	111.245	C3	C5	C4	111.421
C3	C5	H11	122.286	C4	C2	O6	126.575
C4	C5	H11	126.293	C5	C3	O7	126.575
C5	C4	H10	126.293	H8	C1	H9	107.901

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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