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	hartrees
Energy at 0K	-379.024516
Energy at 298.15K	-379.027674
HF Energy	-379.024516
Nuclear repulsion energy	273.618638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3161	0.18
2	A₁	1837	1824	50.65
3	A₁	1603	1592	3.61
4	A₁	1222	1214	127.67
5	A₁	1039	1032	21.98
6	A₁	851	846	6.00
7	A₁	615	611	0.58
8	A₁	388	385	7.80
9	A₂	955	948	0.00
10	A₂	760	755	0.00
11	A₂	257	255	0.00
12	B₁	833	827	59.97
13	B₁	621	617	0.10
14	B₁	163	162	2.76
15	B₂	3163	3141	0.03
16	B₂	1780	1768	518.75
17	B₂	1286	1277	3.24
18	B₂	1015	1008	32.92
19	B₂	847	842	118.78
20	B₂	674	669	53.73
21	B₂	544	540	3.87

Atom	y (Å)	z (Å)
O1	0.000	0.980
C2	1.136	0.156
C3	-1.136	0.156
O4	2.253	0.598
O5	-2.253	0.598
C6	0.669	-1.258
C7	-0.669	-1.258
H8	1.364	-2.093
H9	-1.364	-2.093

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4034	1.4034	2.2848	2.2848	2.3354	2.3354	3.3622	3.3622
C2	1.4034		2.2716	1.2014	3.4173	1.4881	2.2924	2.2604	3.3623
C3	1.4034	2.2716		3.4173	1.2014	2.2924	1.4881	3.3623	2.2604
O4	2.2848	1.2014	3.4173		4.5053	2.4394	3.4614	2.8346	4.5080
O5	2.2848	3.4173	1.2014	4.5053		3.4614	2.4394	4.5080	2.8346
C6	2.3354	1.4881	2.2924	2.4394	3.4614		1.3385	1.0867	2.1980
C7	2.3354	2.2924	1.4881	3.4614	2.4394	1.3385		2.1980	1.0867
H8	3.3622	2.2604	3.3623	2.8346	4.5080	1.0867	2.1980		2.7273
H9	3.3622	3.3623	2.2604	4.5080	2.8346	2.1980	1.0867	2.7273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.409	O1	C2	C6	107.699
O1	C3	O5	122.409	O1	C3	C7	107.699
C2	O1	C3	108.057	C2	C6	C7	108.273
C2	C6	H8	122.010	C3	C7	C6	108.273
C3	C7	H9	122.010	O4	C2	C6	129.892
O5	C3	C7	129.892	C6	C7	H9	129.717
C7	C6	H8	129.717

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.120
2	C	0.246
3	C	0.246
4	O	-0.193
5	O	-0.193
6	C	-0.133
7	C	-0.133
8	H	0.140
9	H	0.140

<r²>	172.293
(<r²>)^1/2	13.126

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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