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	hartrees
Energy at 0K	-342.395608
Energy at 298.15K	-342.400325
HF Energy	-341.379127
Nuclear repulsion energy	267.295843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3095	0.46
2	A₁	3137	2944	0.33
3	A₁	1926	1807	21.46
4	A₁	1685	1581	3.65
5	A₁	1488	1396	18.37
6	A₁	1310	1229	123.43
7	A₁	1111	1043	11.08
8	A₁	876	822	1.12
9	A₁	590	554	4.09
10	A₁	397	373	19.67
11	A₂	1181	1108	0.00
12	A₂	984	923	0.00
13	A₂	646	606	0.00
14	A₂	246	231	0.00
15	B₁	3187	2990	0.03
16	B₁	996	934	24.18
17	B₁	807	757	33.35
18	B₁	450	422	0.20
19	B₁	90	84	16.76
20	B₂	3279	3077	0.05
21	B₂	1894	1777	367.31
22	B₂	1392	1306	12.14
23	B₂	1297	1217	0.85
24	B₂	1196	1122	0.69
25	B₂	853	800	1.70
26	B₂	711	667	1.30
27	B₂	533	500	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.089
C2	0.000	1.203	0.151
C3	0.000	-1.203	0.151
C4	0.000	0.671	-1.250
C5	0.000	-0.671	-1.250
O6	0.000	2.370	0.463
O7	0.000	-2.370	0.463
H8	0.884	0.000	1.735
H9	-0.884	0.000	1.735
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	2.4343	2.4343	2.4511	2.4511	1.0944	1.0944	3.4661	3.4661
C2	1.5262		2.4064	1.4985	2.3401	1.2077	3.5866	2.1770	2.1770	2.2642	3.3975
C3	1.5262	2.4064		2.3401	1.4985	3.5866	1.2077	2.1770	2.1770	3.3975	2.2642
C4	2.4343	1.4985	2.3401		1.3425	2.4128	3.4906	3.1850	3.1850	1.0849	2.1809
C5	2.4343	2.3401	1.4985	1.3425		3.4906	2.4128	3.1850	3.1850	2.1809	1.0849
O6	2.4511	1.2077	3.5866	2.4128	3.4906		4.7394	2.8309	2.8309	2.7742	4.5092
O7	2.4511	3.5866	1.2077	3.4906	2.4128	4.7394		2.8309	2.8309	4.5092	2.7742
H8	1.0944	2.1770	2.1770	3.1850	3.1850	2.8309	2.8309		1.7673	4.1644	4.1644
H9	1.0944	2.1770	2.1770	3.1850	3.1850	2.8309	2.8309	1.7673		4.1644	4.1644
H10	3.4661	2.2642	3.3975	1.0849	2.1809	2.7742	4.5092	4.1644	4.1644		2.6662
H11	3.4661	3.3975	2.2642	2.1809	1.0849	4.5092	2.7742	4.1644	4.1644	2.6662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.174	C1	C2	O6	127.024
C1	C3	C5	107.174	C1	C3	O7	127.024
C2	C1	C3	104.064	C2	C1	H8	111.280
C2	C1	H9	111.280	C2	C4	C5	110.793
C2	C4	H10	121.610	C3	C1	H8	111.280
C3	C1	H9	111.280	C3	C5	C4	110.793
C3	C5	H11	121.610	C4	C2	O6	125.801
C4	C5	H11	127.597	C5	C3	O7	125.801
C5	C4	H10	127.597	H8	C1	H9	107.698

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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