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	hartrees
Energy at 0K	-379.237203
Energy at 298.15K	-379.240486
HF Energy	-379.237203
Nuclear repulsion energy	275.751612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3147	0.03
2	A₁	1933	1861	62.60
3	A₁	1668	1605	2.89
4	A₁	1281	1233	170.51
5	A₁	1079	1039	23.39
6	A₁	884	851	5.80
7	A₁	640	616	1.00
8	A₁	407	392	10.55
9	A₂	976	940	0.00
10	A₂	780	751	0.00
11	A₂	257	247	0.00
12	B₁	860	828	80.83
13	B₁	646	622	0.00
14	B₁	166	160	2.74
15	B₂	3247	3126	0.01
16	B₂	1872	1802	628.32
17	B₂	1333	1283	2.49
18	B₂	1062	1022	52.64
19	B₂	922	888	121.29
20	B₂	704	678	39.96
21	B₂	563	542	3.17

Atom	y (Å)	z (Å)
O1	0.000	0.967
C2	1.126	0.160
C3	-1.126	0.160
O4	2.232	0.598
O5	-2.232	0.598
C6	0.665	-1.254
C7	-0.665	-1.254
H8	1.357	-2.085
H9	-1.357	-2.085

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3859	1.3859	2.2619	2.2619	2.3186	2.3186	3.3403	3.3403
C2	1.3859		2.2526	1.1890	3.3864	1.4869	2.2821	2.2563	3.3477
C3	1.3859	2.2526		3.3864	1.1890	2.2821	1.4869	3.3477	2.2563
O4	2.2619	1.1890	3.3864		4.4632	2.4254	3.4381	2.8215	4.4809
O5	2.2619	3.3864	1.1890	4.4632		3.4381	2.4254	4.4809	2.8215
C6	2.3186	1.4869	2.2821	2.4254	3.4381		1.3305	1.0815	2.1867
C7	2.3186	2.2821	1.4869	3.4381	2.4254	1.3305		2.1867	1.0815
H8	3.3403	2.2563	3.3477	2.8215	4.4809	1.0815	2.1867		2.7149
H9	3.3403	3.3477	2.2563	4.4809	2.8215	2.1867	1.0815	2.7149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.732	O1	C2	C6	107.575
O1	C3	O5	122.732	O1	C3	C7	107.575
C2	O1	C3	108.719	C2	C6	C7	108.065
C2	C6	H8	122.137	C3	C7	C6	108.065
C3	C7	H9	122.137	O4	C2	C6	129.692
O5	C3	C7	129.692	C6	C7	H9	129.798
C7	C6	H8	129.798

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

using model chemistry: B3PW91/6-311G*

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	-0.271
2	C	0.421
3	C	0.421
4	O	-0.276
5	O	-0.276
6	C	-0.263
7	C	-0.263
8	H	0.254
9	H	0.254

<r²>	169.984
(<r²>)^1/2	13.038

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

using model chemistry: B3PW91/6-311G*

States and conformations

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