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	hartrees
Energy at 0K	-378.905691
Energy at 298.15K
HF Energy	-378.905691
Nuclear repulsion energy	272.482211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3170	0.49
2	A₁	1837	1816	47.26
3	A₁	1606	1588	3.57
4	A₁	1226	1212	131.51
5	A₁	1044	1032	23.18
6	A₁	854	844	6.97
7	A₁	611	604	0.88
8	A₁	385	380	8.39
9	A₂	934	923	0.00
10	A₂	733	725	0.00
11	A₂	251	248	0.00
12	B₁	818	808	66.36
13	B₁	614	607	0.02
14	B₁	162	160	2.77
15	B₂	3186	3149	0.24
16	B₂	1781	1760	585.56
17	B₂	1288	1273	2.19
18	B₂	1023	1011	38.78
19	B₂	850	840	131.19
20	B₂	672	665	51.82
21	B₂	540	533	4.10

Atom	y (Å)	z (Å)
O1	0.000	0.982
C2	1.138	0.155
C3	-1.138	0.155
O4	2.263	0.602
O5	-2.263	0.602
C6	0.673	-1.262
C7	-0.673	-1.262
H8	1.372	-2.099
H9	-1.372	-2.099

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4069	1.4069	2.2946	2.2946	2.3436	2.3436	3.3734	3.3734
C2	1.4069		2.2758	1.2102	3.4298	1.4916	2.3000	2.2667	3.3737
C3	1.4069	2.2758		3.4298	1.2102	2.3000	1.4916	3.3737	2.2667
O4	2.2946	1.2102	3.4298		4.5255	2.4494	3.4778	2.8442	4.5282
O5	2.2946	3.4298	1.2102	4.5255		3.4778	2.4494	4.5282	2.8442
C6	2.3436	1.4916	2.3000	2.4494	3.4778		1.3468	1.0902	2.2099
C7	2.3436	2.3000	1.4916	3.4778	2.4494	1.3468		2.2099	1.0902
H8	3.3734	2.2667	3.3737	2.8442	4.5282	1.0902	2.2099		2.7434
H9	3.3734	3.3737	2.2667	4.5282	2.8442	2.2099	1.0902	2.7434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.336	O1	C2	C6	107.877
O1	C3	O5	122.336	O1	C3	C7	107.877
C2	O1	C3	107.961	C2	C6	C7	108.143
C2	C6	H8	122.026	C3	C7	C6	108.143
C3	C7	H9	122.026	O4	C2	C6	129.787
O5	C3	C7	129.787	C6	C7	H9	129.831
C7	C6	H8	129.831

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

using model chemistry: PBEPBE/6-31+G**

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	-0.274
2	C	0.267
3	C	0.267
4	O	-0.414
5	O	-0.414
6	C	0.096
7	C	0.096
8	H	0.188
9	H	0.188

<r²>	173.997
(<r²>)^1/2	13.191

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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