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	hartrees
Energy at 0K	-379.289545
Energy at 298.15K	-379.292787
HF Energy	-379.289545
Nuclear repulsion energy	274.364329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3154	0.16
2	A₁	1929	1852	56.74
3	A₁	1666	1600	2.91
4	A₁	1278	1227	158.53
5	A₁	1086	1043	22.27
6	A₁	877	842	6.07
7	A₁	636	611	0.51
8	A₁	400	385	10.62
9	A₂	978	939	0.00
10	A₂	762	732	0.00
11	A₂	264	254	0.00
12	B₁	854	820	68.83
13	B₁	640	614	0.78
14	B₁	168	161	3.02
15	B₂	3264	3135	0.12
16	B₂	1867	1793	557.59
17	B₂	1342	1288	2.58
18	B₂	1066	1023	48.25
19	B₂	911	875	112.87
20	B₂	703	675	34.81
21	B₂	558	536	2.35

Atom	y (Å)	z (Å)
O1	0.000	0.972
C2	1.132	0.159
C3	-1.132	0.159
O4	2.246	0.600
O5	-2.246	0.600
C6	0.668	-1.258
C7	-0.668	-1.258
H8	1.361	-2.089
H9	-1.361	-2.089

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3937	1.3937	2.2762	2.2762	2.3280	2.3280	3.3502	3.3502
C2	1.3937		2.2638	1.1978	3.4061	1.4911	2.2906	2.2598	3.3569
C3	1.3937	2.2638		3.4061	1.1978	2.2906	1.4911	3.3569	2.2598
O4	2.2762	1.1978	3.4061		4.4911	2.4375	3.4554	2.8308	4.4988
O5	2.2762	3.4061	1.1978	4.4911		3.4554	2.4375	4.4988	2.8308
C6	2.3280	1.4911	2.2906	2.4375	3.4554		1.3356	1.0822	2.1925
C7	2.3280	2.2906	1.4911	3.4554	2.4375	1.3356		2.1925	1.0822
H8	3.3502	2.2598	3.3569	2.8308	4.4988	1.0822	2.1925		2.7221
H9	3.3502	3.3569	2.2598	4.4988	2.8308	2.1925	1.0822	2.7221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.707	O1	C2	C6	107.559
O1	C3	O5	122.707	O1	C3	C7	107.559
C2	O1	C3	108.616	C2	C6	C7	108.133
C2	C6	H8	122.034	C3	C7	C6	108.133
C3	C7	H9	122.034	O4	C2	C6	129.733
O5	C3	C7	129.733	C6	C7	H9	129.834
C7	C6	H8	129.834

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	-0.459
2	C	0.612
3	C	0.612
4	O	-0.414
5	O	-0.414
6	C	-0.161
7	C	-0.161
8	H	0.193
9	H	0.193

<r²>	171.292
(<r²>)^1/2	13.088

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)