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	hartrees
Energy at 0K	-342.489117
Energy at 298.15K	-342.493718
HF Energy	-341.451825
Nuclear repulsion energy	266.566304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3096	1.21
2	A₁	3108	2954	0.06
3	A₁	1799	1709	16.79
4	A₁	1609	1529	4.95
5	A₁	1453	1381	20.18
6	A₁	1270	1207	119.40
7	A₁	1079	1025	14.66
8	A₁	859	816	2.09
9	A₁	573	544	3.99
10	A₁	386	367	14.49
11	A₂	1161	1104	0.00
12	A₂	966	918	0.00
13	A₂	637	605	0.00
14	A₂	235	224	0.00
15	B₁	3166	3009	0.06
16	B₁	964	916	23.34
17	B₁	795	755	32.75
18	B₁	434	413	1.33
19	B₁	78	74	14.08
20	B₂	3236	3076	0.29
21	B₂	1772	1684	290.57
22	B₂	1353	1285	13.52
23	B₂	1256	1193	3.95
24	B₂	1153	1096	0.80
25	B₂	833	791	2.91
26	B₂	691	657	1.07
27	B₂	518	492	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.086
C2	0.000	1.210	0.152
C3	0.000	-1.210	0.152
C4	0.000	0.675	-1.251
C5	0.000	-0.675	-1.251
O6	0.000	2.379	0.464
O7	0.000	-2.379	0.464
H8	0.883	0.000	1.731
H9	-0.883	0.000	1.731
H10	0.000	1.337	-2.112
H11	0.000	-1.337	-2.112

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5287	1.5287	2.4325	2.4325	2.4586	2.4586	1.0937	1.0937	3.4663	3.4663
C2	1.5287		2.4197	1.5011	2.3492	1.2098	3.6020	2.1769	2.1769	2.2671	3.4073
C3	1.5287	2.4197		2.3492	1.5011	3.6020	1.2098	2.1769	2.1769	3.4073	2.2671
C4	2.4325	1.5011	2.3492		1.3495	2.4174	3.5020	3.1824	3.1824	1.0862	2.1882
C5	2.4325	2.3492	1.5011	1.3495		3.5020	2.4174	3.1824	3.1824	2.1882	1.0862
O6	2.4586	1.2098	3.6020	2.4174	3.5020		4.7572	2.8361	2.8361	2.7786	4.5211
O7	2.4586	3.6020	1.2098	3.5020	2.4174	4.7572		2.8361	2.8361	4.5211	2.7786
H8	1.0937	2.1769	2.1769	3.1824	3.1824	2.8361	2.8361		1.7667	4.1637	4.1637
H9	1.0937	2.1769	2.1769	3.1824	3.1824	2.8361	2.8361	1.7667		4.1637	4.1637
H10	3.4663	2.2671	3.4073	1.0862	2.1882	2.7786	4.5211	4.1637	4.1637		2.6738
H11	3.4663	3.4073	2.2671	2.1882	1.0862	4.5211	2.7786	4.1637	4.1637	2.6738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	106.800	C1	C2	O6	127.354
C1	C3	C5	106.800	C1	C3	O7	127.354
C2	C1	C3	104.633	C2	C1	H8	111.128
C2	C1	H9	111.128	C2	C4	C5	110.883
C2	C4	H10	121.557	C3	C1	H8	111.128
C3	C1	H9	111.128	C3	C5	C4	110.883
C3	C5	H11	121.557	C4	C2	O6	125.846
C4	C5	H11	127.560	C5	C3	O7	125.846
C5	C4	H10	127.560	H8	C1	H9	107.735

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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