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	hartrees
Energy at 0K	-71.720035
Energy at 298.15K
HF Energy	-71.720035
Nuclear repulsion energy	138.679191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3153	0.26
2	A₁	1900	1835	61.58
3	A₁	1657	1600	2.21
4	A₁	1271	1227	165.36
5	A₁	1059	1023	19.27
6	A₁	867	837	7.22
7	A₁	626	604	1.12
8	A₁	394	380	10.70
9	A₂	974	941	0.00
10	A₂	750	725	0.00
11	A₂	258	250	0.00
12	B₁	860	830	80.56
13	B₁	633	611	0.00
14	B₁	164	158	2.69
15	B₂	3239	3127	0.62
16	B₂	1838	1775	670.88
17	B₂	1311	1266	1.08
18	B₂	1054	1018	64.82
19	B₂	907	876	117.36
20	B₂	690	666	31.48
21	B₂	547	528	2.72

Atom	y (Å)	z (Å)
O1	0.000	0.980
C2	1.139	0.161
C3	-1.139	0.161
O4	2.263	0.611
O5	-2.263	0.611
C6	0.679	-1.278
C7	-0.679	-1.278
H8	1.380	-2.112
H9	-1.380	-2.112

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4029	1.4029	2.2932	2.2932	2.3574	2.3574	3.3860	3.3860
C2	1.4029		2.2789	1.2106	3.4325	1.5106	2.3192	2.2861	3.3938
C3	1.4029	2.2789		3.4325	1.2106	2.3192	1.5106	3.3938	2.2861
O4	2.2932	1.2106	3.4325		4.5268	2.4650	3.4968	2.8628	4.5490
O5	2.2932	3.4325	1.2106	4.5268		3.4968	2.4650	4.5490	2.8628
C6	2.3574	1.5106	2.3192	2.4650	3.4968		1.3588	1.0899	2.2224
C7	2.3574	2.3192	1.5106	3.4968	2.4650	1.3588		2.2224	1.0899
H8	3.3860	2.2861	3.3938	2.8628	4.5490	1.0899	2.2224		2.7608
H9	3.3860	3.3938	2.2861	4.5490	2.8628	2.2224	1.0899	2.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.496	O1	C2	C6	107.961
O1	C3	O5	122.496	O1	C3	C7	107.961
C2	O1	C3	108.619	C2	C6	C7	107.730
C2	C6	H8	122.241	C3	C7	C6	107.730
C3	C7	H9	122.241	O4	C2	C6	129.544
O5	C3	C7	129.544	C6	C7	H9	130.029
C7	C6	H8	130.029

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

using model chemistry: B3LYP/CEP-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	-0.018
2	C	-0.159
3	C	-0.159
4	O	-0.025
5	O	-0.025
6	C	-0.150
7	C	-0.150
8	H	0.342
9	H	0.342

<r²>	137.003
(<r²>)^1/2	11.705

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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