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	hartrees
Energy at 0K	-379.324591
Energy at 298.15K	-379.327671
HF Energy	-379.324591
Nuclear repulsion energy	272.064231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3160	0.02
2	A₁	1818	1811	50.11
3	A₁	1585	1579	2.63
4	A₁	1187	1182	129.87
5	A₁	1044	1040	33.43
6	A₁	827	824	6.43
7	A₁	607	604	1.66
8	A₁	383	382	7.01
9	A₂	946	942	0.00
10	A₂	743	740	0.00
11	A₂	252	251	0.00
12	B₁	827	824	64.43
13	B₁	617	615	0.03
14	B₁	162	161	2.24
15	B₂	3152	3140	0.07
16	B₂	1763	1756	507.51
17	B₂	1284	1279	3.74
18	B₂	994	990	17.62
19	B₂	809	806	96.53
20	B₂	654	651	80.32
21	B₂	536	534	8.09

Atom	y (Å)	z (Å)
O1	0.000	0.989
C2	1.148	0.157
C3	-1.148	0.157
O4	2.266	0.598
O5	-2.266	0.598
C6	0.671	-1.264
C7	-0.671	-1.264
H8	1.365	-2.100
H9	-1.365	-2.100

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4177	1.4177	2.3000	2.3000	2.3510	2.3510	3.3775	3.3775
C2	1.4177		2.2951	1.2029	3.4424	1.4983	2.3079	2.2674	3.3771
C3	1.4177	2.2951		3.4424	1.2029	2.3079	1.4983	3.3771	2.2674
O4	2.3000	1.2029	3.4424		4.5330	2.4519	3.4782	2.8451	4.5240
O5	2.3000	3.4424	1.2029	4.5330		3.4782	2.4519	4.5240	2.8451
C6	2.3510	1.4983	2.3079	2.4519	3.4782		1.3425	1.0864	2.2010
C7	2.3510	2.3079	1.4983	3.4782	2.4519	1.3425		2.2010	1.0864
H8	3.3775	2.2674	3.3771	2.8451	4.5240	1.0864	2.2010		2.7294
H9	3.3775	3.3771	2.2674	4.5240	2.8451	2.2010	1.0864	2.7294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.510	O1	C2	C6	107.427
O1	C3	O5	122.510	O1	C3	C7	107.427
C2	O1	C3	108.078	C2	C6	C7	108.534
C2	C6	H8	121.802	C3	C7	C6	108.534
C3	C7	H9	121.802	O4	C2	C6	130.063
O5	C3	C7	130.063	C6	C7	H9	129.663
C7	C6	H8	129.663

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

using model chemistry: BLYP/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	-0.249
2	C	0.332
3	C	0.332
4	O	-0.226
5	O	-0.226
6	C	-0.114
7	C	-0.114
8	H	0.132
9	H	0.132

<r²>	174.156
(<r²>)^1/2	13.197

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

using model chemistry: BLYP/6-311G**

States and conformations

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