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	hartrees
Energy at 0K	-377.269385
Energy at 298.15K	-377.273061
HF Energy	-377.269385
Nuclear repulsion energy	279.302763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3426	3102	0.59
2	A₁	2141	1938	111.07
3	A₁	1810	1639	1.87
4	A₁	1426	1291	208.20
5	A₁	1167	1057	13.44
6	A₁	953	863	4.55
7	A₁	699	633	0.19
8	A₁	447	405	18.58
9	A₂	1113	1008	0.00
10	A₂	876	793	0.00
11	A₂	293	266	0.00
12	B₁	977	884	95.97
13	B₁	725	656	2.11
14	B₁	179	162	4.84
15	B₂	3403	3081	0.64
16	B₂	2060	1865	943.55
17	B₂	1452	1315	0.51
18	B₂	1204	1090	125.63
19	B₂	1053	954	76.14
20	B₂	772	699	20.01
21	B₂	609	552	1.24

Atom	y (Å)	z (Å)
O1	0.000	0.946
C2	1.111	0.168
C3	-1.111	0.168
O4	2.195	0.599
O5	-2.195	0.599
C6	0.657	-1.253
C7	-0.657	-1.253
H8	1.348	-2.070
H9	-1.348	-2.070

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3567	1.3567	2.2220	2.2220	2.2954	2.2954	3.3044	3.3044
C2	1.3567		2.2218	1.1666	3.3337	1.4912	2.2681	2.2506	3.3250
C3	1.3567	2.2218		3.3337	1.1666	2.2681	1.4912	3.3250	2.2506
O4	2.2220	1.1666	3.3337		4.3894	2.4072	3.4007	2.8009	4.4362
O5	2.2220	3.3337	1.1666	4.3894		3.4007	2.4072	4.4362	2.8009
C6	2.2954	1.4912	2.2681	2.4072	3.4007		1.3145	1.0704	2.1656
C7	2.2954	2.2681	1.4912	3.4007	2.4072	1.3145		2.1656	1.0704
H8	3.3044	2.2506	3.3250	2.8009	4.4362	1.0704	2.1656		2.6962
H9	3.3044	3.3250	2.2506	4.4362	2.8009	2.1656	1.0704	2.6962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.246	O1	C2	C6	107.321
O1	C3	O5	123.246	O1	C3	C7	107.321
C2	O1	C3	109.934	C2	C6	C7	107.712
C2	C6	H8	122.092	C3	C7	C6	107.712
C3	C7	H9	122.092	O4	C2	C6	129.433
O5	C3	C7	129.433	C6	C7	H9	130.197
C7	C6	H8	130.197

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

using model chemistry: HF/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	-0.377
2	C	0.612
3	C	0.612
4	O	-0.399
5	O	-0.399
6	C	-0.239
7	C	-0.239
8	H	0.215
9	H	0.215

<r²>	166.489
(<r²>)^1/2	12.903

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

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

States and conformations

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