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	hartrees
Energy at 0K	-378.913151
Energy at 298.15K
HF Energy	-378.913151
Nuclear repulsion energy	273.350919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3165	0.08
2	A₁	1857	1838	45.82
3	A₁	1604	1587	4.07
4	A₁	1231	1218	119.53
5	A₁	1037	1027	20.89
6	A₁	856	847	5.51
7	A₁	616	610	0.35
8	A₁	387	383	8.20
9	A₂	940	930	0.00
10	A₂	761	753	0.00
11	A₂	256	253	0.00
12	B₁	833	824	54.36
13	B₁	624	617	0.00
14	B₁	163	162	2.53
15	B₂	3175	3143	0.04
16	B₂	1800	1781	453.50
17	B₂	1278	1265	2.83
18	B₂	1011	1000	35.07
19	B₂	861	852	102.50
20	B₂	675	668	40.20
21	B₂	541	536	2.42

Atom	y (Å)	z (Å)
O1	0.000	0.978
C2	1.136	0.156
C3	-1.136	0.156
O4	2.253	0.602
O5	-2.253	0.602
C6	0.671	-1.261
C7	-0.671	-1.261
H8	1.371	-2.096
H9	-1.371	-2.096

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4019	1.4019	2.2841	2.2841	2.3378	2.3378	3.3655	3.3655
C2	1.4019		2.2712	1.2030	3.4177	1.4916	2.2964	2.2641	3.3692
C3	1.4019	2.2712		3.4177	1.2030	2.2964	1.4916	3.3692	2.2641
O4	2.2841	1.2030	3.4177		4.5058	2.4441	3.4673	2.8383	4.5174
O5	2.2841	3.4177	1.2030	4.5058		3.4673	2.4441	4.5174	2.8383
C6	2.3378	1.4916	2.2964	2.4441	3.4673		1.3423	1.0888	2.2057
C7	2.3378	2.2964	1.4916	3.4673	2.4441	1.3423		2.2057	1.0888
H8	3.3655	2.2641	3.3692	2.8383	4.5174	1.0888	2.2057		2.7411
H9	3.3655	3.3692	2.2641	4.5174	2.8383	2.2057	1.0888	2.7411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.348	O1	C2	C6	107.756
O1	C3	O5	122.348	O1	C3	C7	107.756
C2	O1	C3	108.203	C2	C6	C7	108.142
C2	C6	H8	121.889	C3	C7	C6	108.142
C3	C7	H9	121.889	O4	C2	C6	129.895
O5	C3	C7	129.895	C6	C7	H9	129.969
C7	C6	H8	129.969

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

using model chemistry: PBEPBE/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.193
2	C	0.420
3	C	0.420
4	O	-0.275
5	O	-0.275
6	C	-0.211
7	C	-0.211
8	H	0.162
9	H	0.162

<r²>	171.973
(<r²>)^1/2	13.114

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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