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	hartrees
Energy at 0K	-379.195715
Energy at 298.15K	-379.199009
HF Energy	-379.195715
Nuclear repulsion energy	275.639303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3145	0.70
2	A₁	1967	1865	59.53
3	A₁	1691	1604	3.29
4	A₁	1311	1244	169.07
5	A₁	1091	1034	19.94
6	A₁	897	851	5.78
7	A₁	645	612	0.34
8	A₁	407	386	11.74
9	A₂	986	935	0.00
10	A₂	773	733	0.00
11	A₂	262	249	0.00
12	B₁	862	818	78.20
13	B₁	647	614	0.33
14	B₁	168	160	3.08
15	B₂	3295	3125	0.36
16	B₂	1904	1806	592.76
17	B₂	1350	1281	2.03
18	B₂	1091	1034	71.09
19	B₂	948	899	101.76
20	B₂	712	675	27.38
21	B₂	566	537	1.66

Atom	y (Å)	z (Å)
O1	0.000	0.965
C2	1.124	0.159
C3	-1.124	0.159
O4	2.233	0.600
O5	-2.233	0.600
C6	0.666	-1.255
C7	-0.666	-1.255
H8	1.360	-2.084
H9	-1.360	-2.084

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3828	1.3828	2.2631	2.2631	2.3173	2.3173	3.3380	3.3380
C2	1.3828		2.2479	1.1936	3.3861	1.4864	2.2812	2.2555	3.3466
C3	1.3828	2.2479		3.3861	1.1936	2.2812	1.4864	3.3466	2.2555
O4	2.2631	1.1936	3.3861		4.4668	2.4280	3.4417	2.8221	4.4845
O5	2.2631	3.3861	1.1936	4.4668		3.4417	2.4280	4.4845	2.8221
C6	2.3173	1.4864	2.2812	2.4280	3.4417		1.3321	1.0809	2.1887
C7	2.3173	2.2812	1.4864	3.4417	2.4280	1.3321		2.1887	1.0809
H8	3.3380	2.2555	3.3466	2.8221	4.4845	1.0809	2.1887		2.7192
H9	3.3380	3.3466	2.2555	4.4845	2.8221	2.1887	1.0809	2.7192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.728	O1	C2	C6	107.684
O1	C3	O5	122.728	O1	C3	C7	107.684
C2	O1	C3	108.746	C2	C6	C7	107.943
C2	C6	H8	122.140	C3	C7	C6	107.943
C3	C7	H9	122.140	O4	C2	C6	129.588
O5	C3	C7	129.588	C6	C7	H9	129.917
C7	C6	H8	129.917

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

using model chemistry: mPW1PW91/6-31G*

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	-0.475
2	C	0.639
3	C	0.639
4	O	-0.425
5	O	-0.425
6	C	-0.207
7	C	-0.207
8	H	0.231
9	H	0.231

<r²>	169.816
(<r²>)^1/2	13.031

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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