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	hartrees
Energy at 0K	-377.185383
Energy at 298.15K
HF Energy	-377.185383
Nuclear repulsion energy	271.177388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3188	0.70
2	A₁	1883	1816	35.53
3	A₁	1655	1597	3.20
4	A₁	1204	1162	72.94
5	A₁	1087	1049	82.45
6	A₁	830	800	3.87
7	A₁	630	608	0.24
8	A₁	386	373	7.71
9	A₂	1036	1000	0.00
10	A₂	781	753	0.00
11	A₂	296	286	0.00
12	B₁	895	863	93.18
13	B₁	650	627	0.18
14	B₁	175	169	0.85
15	B₂	3281	3166	1.15
16	B₂	1809	1746	381.86
17	B₂	1350	1302	9.23
18	B₂	1008	973	29.72
19	B₂	851	821	97.83
20	B₂	700	675	45.46
21	B₂	542	523	4.77

Atom	y (Å)	z (Å)
O1	0.000	0.991
C2	1.157	0.154
C3	-1.157	0.154
O4	2.282	0.598
O5	-2.282	0.598
C6	0.667	-1.262
C7	-0.667	-1.262
H8	1.346	-2.099
H9	-1.346	-2.099

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4276	1.4276	2.3160	2.3160	2.3499	2.3499	3.3701	3.3701
C2	1.4276		2.3131	1.2102	3.4675	1.4985	2.3090	2.2607	3.3672
C3	1.4276	2.3131		3.4675	1.2102	2.3090	1.4985	3.3672	2.2607
O4	2.3160	1.2102	3.4675		4.5648	2.4637	3.4871	2.8546	4.5208
O5	2.3160	3.4675	1.2102	4.5648		3.4871	2.4637	4.5208	2.8546
C6	2.3499	1.4985	2.3090	2.4637	3.4871		1.3342	1.0773	2.1800
C7	2.3499	2.3090	1.4985	3.4871	2.4637	1.3342		2.1800	1.0773
H8	3.3701	2.2607	3.3672	2.8546	4.5208	1.0773	2.1800		2.6921
H9	3.3701	3.3672	2.2607	4.5208	2.8546	2.1800	1.0773	2.6921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.590	O1	C2	C6	106.826
O1	C3	O5	122.590	O1	C3	C7	106.826
C2	O1	C3	108.220	C2	C6	C7	109.064
C2	C6	H8	121.871	C3	C7	C6	109.064
C3	C7	H9	121.871	O4	C2	C6	130.584
O5	C3	C7	130.584	C6	C7	H9	129.066
C7	C6	H8	129.066

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

using model chemistry: B3LYP/3-21G

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	-0.501
2	C	0.656
3	C	0.656
4	O	-0.428
5	O	-0.428
6	C	-0.222
7	C	-0.222
8	H	0.245
9	H	0.245

<r²>	175.229
(<r²>)^1/2	13.237

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

using model chemistry: B3LYP/3-21G

States and conformations

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