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	hartrees
Energy at 0K	-379.318779
Energy at 298.15K
HF Energy	-379.318779
Nuclear repulsion energy	274.339158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3165	0.58
2	A₁	1918	1861	63.23
3	A₁	1660	1610	2.72
4	A₁	1275	1237	159.12
5	A₁	1055	1023	18.51
6	A₁	878	851	6.03
7	A₁	635	616	0.77
8	A₁	402	390	9.73
9	A₂	985	956	0.00
10	A₂	780	757	0.00
11	A₂	268	260	0.00
12	B₁	861	835	62.15
13	B₁	645	625	0.19
14	B₁	168	163	2.58
15	B₂	3241	3144	0.29
16	B₂	1857	1801	577.05
17	B₂	1316	1277	1.66
18	B₂	1053	1021	54.54
19	B₂	907	880	110.37
20	B₂	703	682	37.18
21	B₂	558	541	2.36

Atom	y (Å)	z (Å)
O1	0.000	0.973
C2	1.131	0.159
C3	-1.131	0.159
O4	2.242	0.602
O5	-2.242	0.602
C6	0.669	-1.260
C7	-0.669	-1.260
H8	1.367	-2.096
H9	-1.367	-2.096

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3933	1.3933	2.2729	2.2729	2.3309	2.3309	3.3590	3.3590
C2	1.3933		2.2623	1.1961	3.4025	1.4926	2.2924	2.2671	3.3652
C3	1.3933	2.2623		3.4025	1.1961	2.2924	1.4926	3.3652	2.2671
O4	2.2729	1.1961	3.4025		4.4849	2.4375	3.4559	2.8358	4.5059
O5	2.2729	3.4025	1.1961	4.4849		3.4559	2.4375	4.5059	2.8358
C6	2.3309	1.4926	2.2924	2.4375	3.4559		1.3382	1.0886	2.2008
C7	2.3309	2.2924	1.4926	3.4559	2.4375	1.3382		2.2008	1.0886
H8	3.3590	2.2671	3.3652	2.8358	4.5059	1.0886	2.2008		2.7340
H9	3.3590	3.3652	2.2671	4.5059	2.8358	2.2008	1.0886	2.7340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.570	O1	C2	C6	107.688
O1	C3	O5	122.570	O1	C3	C7	107.688
C2	O1	C3	108.557	C2	C6	C7	108.034
C2	C6	H8	122.094	C3	C7	C6	108.034
C3	C7	H9	122.094	O4	C2	C6	129.742
O5	C3	C7	129.742	C6	C7	H9	129.872
C7	C6	H8	129.872

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.201
2	C	0.219
3	C	0.219
4	O	-0.157
5	O	-0.157
6	C	0.017
7	C	0.017
8	H	0.022
9	H	0.022

<r²>	171.278
(<r²>)^1/2	13.087

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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