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	hartrees
Energy at 0K	-379.292731
Energy at 298.15K	-379.295991
HF Energy	-379.292731
Nuclear repulsion energy	274.381789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3149	0.35
2	A₁	1929	1853	56.94
3	A₁	1665	1600	2.90
4	A₁	1277	1227	160.42
5	A₁	1082	1040	20.86
6	A₁	877	842	5.97
7	A₁	637	612	0.48
8	A₁	401	385	10.58
9	A₂	979	940	0.00
10	A₂	762	732	0.00
11	A₂	264	254	0.00
12	B₁	853	820	67.66
13	B₁	640	615	0.84
14	B₁	168	161	3.06
15	B₂	3257	3130	0.35
16	B₂	1867	1793	556.18
17	B₂	1338	1285	2.69
18	B₂	1063	1021	49.90
19	B₂	912	876	111.71
20	B₂	703	675	34.68
21	B₂	559	537	2.27

Atom	y (Å)	z (Å)
O1	0.000	0.972
C2	1.132	0.159
C3	-1.132	0.159
O4	2.245	0.600
O5	-2.245	0.600
C6	0.668	-1.258
C7	-0.668	-1.258
H8	1.360	-2.089
H9	-1.360	-2.089

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3936	1.3936	2.2761	2.2761	2.3280	2.3280	3.3497	3.3497
C2	1.3936		2.2635	1.1978	3.4059	1.4911	2.2905	2.2597	3.3560
C3	1.3936	2.2635		3.4059	1.1978	2.2905	1.4911	3.3560	2.2597
O4	2.2761	1.1978	3.4059		4.4909	2.4375	3.4553	2.8311	4.4978
O5	2.2761	3.4059	1.1978	4.4909		3.4553	2.4375	4.4978	2.8311
C6	2.3280	1.4911	2.2905	2.4375	3.4553		1.3354	1.0816	2.1914
C7	2.3280	2.2905	1.4911	3.4553	2.4375	1.3354		2.1914	1.0816
H8	3.3497	2.2597	3.3560	2.8311	4.4978	1.0816	2.1914		2.7200
H9	3.3497	3.3560	2.2597	4.4978	2.8311	2.1914	1.0816	2.7200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.702	O1	C2	C6	107.564
O1	C3	O5	122.702	O1	C3	C7	107.564
C2	O1	C3	108.609	C2	C6	C7	108.132
C2	C6	H8	122.072	C3	C7	C6	108.132
C3	C7	H9	122.072	O4	C2	C6	129.734
O5	C3	C7	129.734	C6	C7	H9	129.796
C7	C6	H8	129.796

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

using model chemistry: B3LYP/6-31G**

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	-0.460
2	C	0.605
3	C	0.605
4	O	-0.414
5	O	-0.414
6	C	-0.109
7	C	-0.109
8	H	0.148
9	H	0.148

<r²>	171.271
(<r²>)^1/2	13.087

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

using model chemistry: B3LYP/6-31G**

States and conformations

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