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	hartrees
Energy at 0K	-379.224524
Energy at 298.15K	-379.227862
HF Energy	-379.224524
Nuclear repulsion energy	275.968100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3157	1.09
2	A₁	1934	1853	67.66
3	A₁	1686	1615	4.02
4	A₁	1302	1247	148.93
5	A₁	1069	1024	14.71
6	A₁	900	862	6.74
7	A₁	639	612	0.30
8	A₁	406	389	11.68
9	A₂	980	939	0.00
10	A₂	790	757	0.00
11	A₂	267	256	0.00
12	B₁	863	827	68.70
13	B₁	644	617	0.00
14	B₁	166	159	3.64
15	B₂	3273	3135	0.82
16	B₂	1872	1793	708.35
17	B₂	1332	1276	0.41
18	B₂	1080	1035	83.42
19	B₂	938	898	125.38
20	B₂	707	677	32.41
21	B₂	565	541	2.79

Atom	y (Å)	z (Å)
O1	0.000	0.965
C2	1.122	0.158
C3	-1.122	0.158
O4	2.229	0.600
O5	-2.229	0.600
C6	0.666	-1.253
C7	-0.666	-1.253
H8	1.362	-2.085
H9	-1.362	-2.085

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3818	1.3818	2.2585	2.2585	2.3157	2.3157	3.3397	3.3397
C2	1.3818		2.2434	1.1922	3.3796	1.4825	2.2777	2.2552	3.3463
C3	1.3818	2.2434		3.3796	1.1922	2.2777	1.4825	3.3463	2.2552
O4	2.2585	1.1922	3.3796		4.4577	2.4240	3.4375	2.8211	4.4836
O5	2.2585	3.3796	1.1922	4.4577		3.4375	2.4240	4.4836	2.8211
C6	2.3157	1.4825	2.2777	2.4240	3.4375		1.3327	1.0842	2.1923
C7	2.3157	2.2777	1.4825	3.4375	2.4240	1.3327		2.1923	1.0842
H8	3.3397	2.2552	3.3463	2.8211	4.4836	1.0842	2.1923		2.7242
H9	3.3397	3.3463	2.2552	4.4836	2.8211	2.1923	1.0842	2.7242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.495	O1	C2	C6	107.843
O1	C3	O5	122.495	O1	C3	C7	107.843
C2	O1	C3	108.542	C2	C6	C7	107.886
C2	C6	H8	122.195	C3	C7	C6	107.886
C3	C7	H9	122.195	O4	C2	C6	129.662
O5	C3	C7	129.662	C6	C7	H9	129.919
C7	C6	H8	129.919

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

using model chemistry: B1B95/aug-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	-0.474
2	C	0.506
3	C	0.506
4	O	-0.451
5	O	-0.451
6	C	0.607
7	C	0.607
8	H	-0.424
9	H	-0.424

<r²>	169.974
(<r²>)^1/2	13.037

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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