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	hartrees
Energy at 0K	-342.351012
Energy at 298.15K	-342.355619
HF Energy	-341.375662
Nuclear repulsion energy	266.291183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3098	0.45
2	A₁	3130	2952	0.71
3	A₁	1806	1703	15.37
4	A₁	1630	1537	4.77
5	A₁	1480	1396	17.36
6	A₁	1292	1218	120.37
7	A₁	1098	1036	13.02
8	A₁	869	819	1.30
9	A₁	578	545	3.77
10	A₁	386	364	15.78
11	A₂	1167	1101	0.00
12	A₂	962	907	0.00
13	A₂	627	591	0.00
14	A₂	234	221	0.00
15	B₁	3187	3005	0.01
16	B₁	979	923	21.18
17	B₁	800	754	32.22
18	B₁	439	414	0.56
19	B₁	83	78	15.35
20	B₂	3266	3080	0.01
21	B₂	1778	1677	257.17
22	B₂	1374	1296	13.44
23	B₂	1273	1200	2.88
24	B₂	1176	1109	0.59
25	B₂	841	793	2.51
26	B₂	699	659	0.98
27	B₂	521	491	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.087
C2	0.000	1.208	0.150
C3	0.000	-1.208	0.150
C4	0.000	0.674	-1.250
C5	0.000	-0.674	-1.250
O6	0.000	2.385	0.465
O7	0.000	-2.385	0.465
H8	0.884	0.000	1.733
H9	-0.884	0.000	1.733
H10	0.000	1.336	-2.111
H11	0.000	-1.336	-2.111

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5284	1.5284	2.4322	2.4322	2.4642	2.4642	1.0948	1.0948	3.4659	3.4659
C2	1.5284		2.4157	1.4988	2.3458	1.2181	3.6061	2.1783	2.1783	2.2651	3.4040
C3	1.5284	2.4157		2.3458	1.4988	3.6061	1.2181	2.1783	2.1783	3.4040	2.2651
C4	2.4322	1.4988	2.3458		1.3482	2.4223	3.5067	3.1836	3.1836	1.0862	2.1870
C5	2.4322	2.3458	1.4988	1.3482		3.5067	2.4223	3.1836	3.1836	2.1870	1.0862
O6	2.4642	1.2181	3.6061	2.4223	3.5067		4.7690	2.8416	2.8416	2.7813	4.5257
O7	2.4642	3.6061	1.2181	3.5067	2.4223	4.7690		2.8416	2.8416	4.5257	2.7813
H8	1.0948	2.1783	2.1783	3.1836	3.1836	2.8416	2.8416		1.7674	4.1647	4.1647
H9	1.0948	2.1783	2.1783	3.1836	3.1836	2.8416	2.8416	1.7674		4.1647	4.1647
H10	3.4659	2.2651	3.4040	1.0862	2.1870	2.7813	4.5257	4.1647	4.1647		2.6727
H11	3.4659	3.4040	2.2651	2.1870	1.0862	4.5257	2.7813	4.1647	4.1647	2.6727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	106.925	C1	C2	O6	127.234
C1	C3	C5	106.925	C1	C3	O7	127.234
C2	C1	C3	104.425	C2	C1	H8	111.205
C2	C1	H9	111.205	C2	C4	C5	110.863
C2	C4	H10	121.568	C3	C1	H8	111.205
C3	C1	H9	111.205	C3	C5	C4	110.863
C3	C5	H11	121.568	C4	C2	O6	125.841
C4	C5	H11	127.569	C5	C3	O7	125.841
C5	C4	H10	127.569	H8	C1	H9	107.640

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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