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	hartrees
Energy at 0K	-374.142253
Energy at 298.15K	-374.144688
HF Energy	-374.142253
Nuclear repulsion energy	261.802951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3393	3139	7.19
2	A₁	1773	1641	2.37
3	A₁	1654	1530	4.82
4	A₁	1179	1091	53.18
5	A₁	1072	992	23.11
6	A₁	798	739	0.49
7	A₁	594	549	0.02
8	A₁	350	324	5.32
9	A₂	956	884	0.00
10	A₂	674	624	0.00
11	A₂	256	237	0.00
12	B₁	786	728	31.39
13	B₁	540	499	0.06
14	B₁	149	138	0.56
15	B₂	3360	3109	17.51
16	B₂	1716	1588	87.00
17	B₂	1336	1236	6.30
18	B₂	987	913	42.12
19	B₂	835	773	52.01
20	B₂	668	618	12.88
21	B₂	502	465	0.43

Atom	y (Å)	z (Å)
O1	0.000	1.047
C2	1.188	0.151
C3	-1.188	0.151
O4	2.363	0.617
O5	-2.363	0.617
C6	0.678	-1.309
C7	-0.678	-1.309
H8	1.369	-2.172
H9	-1.369	-2.172

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4880	1.4880	2.4019	2.4019	2.4518	2.4518	3.4984	3.4984
C2	1.4880		2.3751	1.2646	3.5810	1.5458	2.3688	2.3297	3.4543
C3	1.4880	2.3751		3.5810	1.2646	2.3688	1.5458	3.4543	2.3297
O4	2.4019	1.2646	3.5810		4.7260	2.5587	3.5997	2.9606	4.6592
O5	2.4019	3.5810	1.2646	4.7260		3.5997	2.5587	4.6592	2.9606
C6	2.4518	1.5458	2.3688	2.5587	3.5997		1.3565	1.1057	2.2221
C7	2.4518	2.3688	1.5458	3.5997	2.5587	1.3565		2.2221	1.1057
H8	3.4984	2.3297	3.4543	2.9606	4.6592	1.1057	2.2221		2.7387
H9	3.4984	3.4543	2.3297	4.6592	2.9606	2.2221	1.1057	2.7387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.309	O1	C2	C6	107.820
O1	C3	O5	121.309	O1	C3	C7	107.820
C2	O1	C3	105.891	C2	C6	C7	109.235
C2	C6	H8	122.081	C3	C7	C6	109.235
C3	C7	H9	122.081	O4	C2	C6	130.871
O5	C3	C7	130.871	C6	C7	H9	128.685
C7	C6	H8	128.685

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

using model chemistry: BLYP/STO-3G

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	-0.127
2	C	0.186
3	C	0.186
4	O	-0.145
5	O	-0.145
6	C	-0.082
7	C	-0.082
8	H	0.105
9	H	0.105

<r²>	183.106
(<r²>)^1/2	13.532

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

using model chemistry: BLYP/STO-3G

States and conformations

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