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	hartrees
Energy at 0K	-71.736279
Energy at 298.15K
HF Energy	-71.736279
Nuclear repulsion energy	139.196666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3147	0.03
2	A₁	1871	1814	59.47
3	A₁	1625	1575	1.74
4	A₁	1256	1218	165.01
5	A₁	1065	1033	21.62
6	A₁	856	830	5.08
7	A₁	625	606	0.91
8	A₁	394	382	10.09
9	A₂	956	927	0.00
10	A₂	747	724	0.00
11	A₂	250	242	0.00
12	B₁	844	819	75.18
13	B₁	627	608	0.01
14	B₁	162	157	3.13
15	B₂	3227	3128	0.01
16	B₂	1809	1753	651.45
17	B₂	1315	1275	2.08
18	B₂	1045	1013	54.97
19	B₂	896	869	124.06
20	B₂	692	671	39.08
21	B₂	547	530	3.19

Atom	y (Å)	z (Å)
O1	0.000	0.981
C2	1.139	0.161
C3	-1.139	0.161
O4	2.258	0.604
O5	-2.258	0.604
C6	0.671	-1.270
C7	-0.671	-1.270
H8	1.368	-2.101
H9	-1.368	-2.101

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4035	1.4035	2.2896	2.2896	2.3490	2.3490	3.3726	3.3726
C2	1.4035		2.2772	1.2041	3.4256	1.5048	2.3069	2.2738	3.3763
C3	1.4035	2.2772		3.4256	1.2041	2.3069	1.5048	3.3763	2.2738
O4	2.2896	1.2041	3.4256		4.5166	2.4552	3.4774	2.8480	4.5239
O5	2.2896	3.4256	1.2041	4.5166		3.4774	2.4552	4.5239	2.8480
C6	2.3490	1.5048	2.3069	2.4552	3.4774		1.3427	1.0848	2.2022
C7	2.3490	2.3069	1.5048	3.4774	2.4552	1.3427		2.2022	1.0848
H8	3.3726	2.2738	3.3763	2.8480	4.5239	1.0848	2.2022		2.7355
H9	3.3726	3.3763	2.2738	4.5239	2.8480	2.2022	1.0848	2.7355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.634	O1	C2	C6	107.691
O1	C3	O5	122.634	O1	C3	C7	107.691
C2	O1	C3	108.438	C2	C6	C7	108.090
C2	C6	H8	121.973	C3	C7	C6	108.090
C3	C7	H9	121.973	O4	C2	C6	129.675
O5	C3	C7	129.675	C6	C7	H9	129.937
C7	C6	H8	129.937

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

using model chemistry: B3LYP/CEP-121G*

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	-0.124
2	C	0.168
3	C	0.168
4	O	-0.195
5	O	-0.195
6	C	-0.173
7	C	-0.173
8	H	0.262
9	H	0.262

<r²>	136.258
(<r²>)^1/2	11.673

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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