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	hartrees
Energy at 0K	-377.386218
Energy at 298.15K	-377.389890
HF Energy	-377.386218
Nuclear repulsion energy	279.571051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3418	3098	1.02
2	A₁	2121	1922	117.15
3	A₁	1800	1632	1.00
4	A₁	1423	1289	213.24
5	A₁	1170	1061	13.03
6	A₁	952	863	4.25
7	A₁	699	634	0.25
8	A₁	448	406	18.23
9	A₂	1107	1003	0.00
10	A₂	870	788	0.00
11	A₂	290	263	0.00
12	B₁	970	879	99.16
13	B₁	719	652	0.65
14	B₁	177	161	5.15
15	B₂	3397	3079	0.75
16	B₂	2038	1848	1051.67
17	B₂	1458	1322	0.37
18	B₂	1203	1090	134.39
19	B₂	1054	955	95.28
20	B₂	774	702	22.99
21	B₂	612	554	1.73

Atom	y (Å)	z (Å)
O1	0.000	0.947
C2	1.108	0.166
C3	-1.108	0.166
O4	2.191	0.599
O5	-2.191	0.599
C6	0.656	-1.252
C7	-0.656	-1.252
H8	1.343	-2.070
H9	-1.343	-2.070

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3554	1.3554	2.2182	2.2182	2.2943	2.2943	3.3022	3.3022
C2	1.3554		2.2165	1.1658	3.3273	1.4885	2.2636	2.2485	3.3183
C3	1.3554	2.2165		3.3273	1.1658	2.2636	1.4885	3.3183	2.2485
O4	2.2182	1.1658	3.3273		4.3816	2.4044	3.3957	2.8002	4.4287
O5	2.2182	3.3273	1.1658	4.3816		3.3957	2.4044	4.4287	2.8002
C6	2.2943	1.4885	2.2636	2.4044	3.3957		1.3122	1.0685	2.1604
C7	2.2943	2.2636	1.4885	3.3957	2.4044	1.3122		2.1604	1.0685
H8	3.3022	2.2485	3.3183	2.8002	4.4287	1.0685	2.1604		2.6869
H9	3.3022	3.3183	2.2485	4.4287	2.8002	2.1604	1.0685	2.6869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.061	O1	C2	C6	107.469
O1	C3	O5	123.061	O1	C3	C7	107.469
C2	O1	C3	109.695	C2	C6	C7	107.684
C2	C6	H8	122.279	C3	C7	C6	107.684
C3	C7	H9	122.279	O4	C2	C6	129.471
O5	C3	C7	129.471	C6	C7	H9	130.038
C7	C6	H8	130.038

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

using model chemistry: HF/Def2TZVPP

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	-0.313
2	C	0.491
3	C	0.491
4	O	-0.354
5	O	-0.354
6	C	-0.115
7	C	-0.115
8	H	0.135
9	H	0.135

<r²>	166.707
(<r²>)^1/2	12.911

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

using model chemistry: HF/Def2TZVPP

States and conformations

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