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	hartrees
Energy at 0K	-379.142983
Energy at 298.15K	-379.146241
HF Energy	-379.142983
Nuclear repulsion energy	275.030861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3152	0.41
2	A₁	1945	1861	56.99
3	A₁	1676	1604	3.24
4	A₁	1295	1239	163.20
5	A₁	1085	1038	20.89
6	A₁	888	849	5.90
7	A₁	639	612	0.39
8	A₁	403	386	11.05
9	A₂	977	935	0.00
10	A₂	766	733	0.00
11	A₂	261	249	0.00
12	B₁	854	817	75.59
13	B₁	642	614	0.28
14	B₁	168	160	2.98
15	B₂	3274	3133	0.19
16	B₂	1883	1801	568.24
17	B₂	1341	1283	2.39
18	B₂	1076	1029	60.68
19	B₂	930	890	106.41
20	B₂	705	675	29.98
21	B₂	562	537	1.80

Atom	y (Å)	z (Å)
O1	0.000	0.968
C2	1.127	0.159
C3	-1.127	0.159
O4	2.239	0.600
O5	-2.239	0.600
C6	0.667	-1.256
C7	-0.667	-1.256
H8	1.361	-2.087
H9	-1.361	-2.087

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3874	1.3874	2.2691	2.2691	2.3221	2.3221	3.3446	3.3446
C2	1.3874		2.2541	1.1964	3.3950	1.4879	2.2851	2.2582	3.3519
C3	1.3874	2.2541		3.3950	1.1964	2.2851	1.4879	3.3519	2.2582
O4	2.2691	1.1964	3.3950		4.4782	2.4324	3.4485	2.8270	4.4925
O5	2.2691	3.3950	1.1964	4.4782		3.4485	2.4324	4.4925	2.8270
C6	2.3221	1.4879	2.2851	2.4324	3.4485		1.3344	1.0825	2.1919
C7	2.3221	2.2851	1.4879	3.4485	2.4324	1.3344		2.1919	1.0825
H8	3.3446	2.2582	3.3519	2.8270	4.4925	1.0825	2.1919		2.7221
H9	3.3446	3.3519	2.2582	4.4925	2.8270	2.1919	1.0825	2.7221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.686	O1	C2	C6	107.671
O1	C3	O5	122.686	O1	C3	C7	107.671
C2	O1	C3	108.653	C2	C6	C7	108.003
C2	C6	H8	122.134	C3	C7	C6	108.003
C3	C7	H9	122.134	O4	C2	C6	129.643
O5	C3	C7	129.643	C6	C7	H9	129.863
C7	C6	H8	129.863

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

using model chemistry: B3PW91/6-31G*

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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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	-0.466
2	C	0.629
3	C	0.629
4	O	-0.421
5	O	-0.421
6	C	-0.200
7	C	-0.200
8	H	0.225
9	H	0.225

<r²>	170.449
(<r²>)^1/2	13.056

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

using model chemistry: B3PW91/6-31G*

States and conformations

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