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	hartrees
Energy at 0K	-379.263616
Energy at 298.15K	-379.266941
HF Energy	-379.263616
Nuclear repulsion energy	276.813951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3156	0.74
2	A₁	1956	1878	64.86
3	A₁	1686	1619	3.15
4	A₁	1299	1247	179.95
5	A₁	1075	1032	19.73
6	A₁	895	859	5.90
7	A₁	643	617	0.69
8	A₁	411	394	11.30
9	A₂	989	949	0.00
10	A₂	783	751	0.00
11	A₂	255	245	0.00
12	B₁	868	833	77.84
13	B₁	650	624	0.05
14	B₁	165	158	2.83
15	B₂	3265	3135	0.41
16	B₂	1896	1820	648.27
17	B₂	1335	1282	1.49
18	B₂	1072	1029	74.21
19	B₂	948	910	112.04
20	B₂	708	680	33.58
21	B₂	568	546	2.93

Atom	y (Å)	z (Å)
O1	0.000	0.962
C2	1.120	0.160
C3	-1.120	0.160
O4	2.222	0.597
O5	-2.222	0.597
C6	0.663	-1.251
C7	-0.663	-1.251
H8	1.355	-2.077
H9	-1.355	-2.077

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3781	1.3781	2.2521	2.2521	2.3102	2.3102	3.3277	3.3277
C2	1.3781		2.2405	1.1855	3.3709	1.4827	2.2736	2.2489	3.3363
C3	1.3781	2.2405		3.3709	1.1855	2.2736	1.4827	3.3363	2.2489
O4	2.2521	1.1855	3.3709		4.4445	2.4175	3.4261	2.8107	4.4663
O5	2.2521	3.3709	1.1855	4.4445		3.4261	2.4175	4.4663	2.8107
C6	2.3102	1.4827	2.2736	2.4175	3.4261		1.3260	1.0779	2.1809
C7	2.3102	2.2736	1.4827	3.4261	2.4175	1.3260		2.1809	1.0779
H8	3.3277	2.2489	3.3363	2.8107	4.4663	1.0779	2.1809		2.7107
H9	3.3277	3.3363	2.2489	4.4663	2.8107	2.1809	1.0779	2.7107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.745	O1	C2	C6	107.658
O1	C3	O5	122.745	O1	C3	C7	107.658
C2	O1	C3	108.761	C2	C6	C7	107.962
C2	C6	H8	122.075	C3	C7	C6	107.962
C3	C7	H9	122.075	O4	C2	C6	129.597
O5	C3	C7	129.597	C6	C7	H9	129.964
C7	C6	H8	129.964

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

using model chemistry: B1B95/6-311G**

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	-0.266
2	C	0.397
3	C	0.397
4	O	-0.271
5	O	-0.271
6	C	-0.148
7	C	-0.148
8	H	0.155
9	H	0.155

<r²>	168.798
(<r²>)^1/2	12.992

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

using model chemistry: B1B95/6-311G**

States and conformations

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