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	hartrees
Energy at 0K	-378.981722
Energy at 298.15K
HF Energy	-378.981722
Nuclear repulsion energy	273.288491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3154	0.09
2	A₁	1847	1828	49.32
3	A₁	1608	1591	3.23
4	A₁	1220	1208	138.41
5	A₁	1043	1033	26.75
6	A₁	851	842	6.83
7	A₁	614	607	1.23
8	A₁	389	385	7.86
9	A₂	934	924	0.00
10	A₂	749	742	0.00
11	A₂	247	244	0.00
12	B₁	824	816	68.51
13	B₁	620	613	0.12
14	B₁	162	160	2.21
15	B₂	3166	3133	0.28
16	B₂	1792	1774	510.63
17	B₂	1287	1273	2.98
18	B₂	1013	1002	27.42
19	B₂	846	838	110.78
20	B₂	670	663	56.05
21	B₂	542	536	4.76

Atom	y (Å)	z (Å)
O1	0.000	0.981
C2	1.138	0.157
C3	-1.138	0.157
O4	2.255	0.599
O5	-2.255	0.599
C6	0.671	-1.259
C7	-0.671	-1.259
H8	1.367	-2.097
H9	-1.367	-2.097

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4051	1.4051	2.2871	2.2871	2.3388	2.3388	3.3681	3.3681
C2	1.4051		2.2752	1.2014	3.4211	1.4909	2.2966	2.2652	3.3691
C3	1.4051	2.2752		3.4211	1.2014	2.2966	1.4909	3.3691	2.2652
O4	2.2871	1.2014	3.4211		4.5096	2.4417	3.4655	2.8381	4.5146
O5	2.2871	3.4211	1.2014	4.5096		3.4655	2.4417	4.5146	2.8381
C6	2.3388	1.4909	2.2966	2.4417	3.4655		1.3411	1.0893	2.2028
C7	2.3388	2.2966	1.4909	3.4655	2.4417	1.3411		2.2028	1.0893
H8	3.3681	2.2652	3.3691	2.8381	4.5146	1.0893	2.2028		2.7335
H9	3.3681	3.3691	2.2652	4.5146	2.8381	2.2028	1.0893	2.7335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.472	O1	C2	C6	107.685
O1	C3	O5	122.472	O1	C3	C7	107.685
C2	O1	C3	108.117	C2	C6	C7	108.257
C2	C6	H8	122.014	C3	C7	C6	108.257
C3	C7	H9	122.014	O4	C2	C6	129.843
O5	C3	C7	129.843	C6	C7	H9	129.729
C7	C6	H8	129.729

All results from a given calculation for C₄H₂O₃ (Maleic Anhydride)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.237
2	C	0.358
3	C	0.358
4	O	-0.235
5	O	-0.235
6	C	-0.242
7	C	-0.242
8	H	0.237
9	H	0.237

<r²>	172.577
(<r²>)^1/2	13.137

All results from a given calculation for C4H2O3 (Maleic Anhydride)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄H₂O₃ (Maleic Anhydride)