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	hartrees
Energy at 0K	-377.375758
Energy at 298.15K	-377.379428
HF Energy	-377.375758
Nuclear repulsion energy	279.491518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3416	3090	1.13
2	A₁	2117	1915	115.77
3	A₁	1798	1626	1.17
4	A₁	1423	1287	205.98
5	A₁	1169	1058	12.28
6	A₁	952	861	4.26
7	A₁	698	632	0.24
8	A₁	448	405	18.28
9	A₂	1115	1008	0.00
10	A₂	871	788	0.00
11	A₂	293	265	0.00
12	B₁	972	879	97.46
13	B₁	720	651	0.73
14	B₁	178	161	5.19
15	B₂	3394	3070	0.81
16	B₂	2034	1840	1078.87
17	B₂	1458	1318	0.18
18	B₂	1204	1089	137.36
19	B₂	1053	953	96.67
20	B₂	774	701	23.25
21	B₂	611	553	1.84

Atom	y (Å)	z (Å)
O1	0.000	0.946
C2	1.111	0.167
C3	-1.111	0.167
O4	2.194	0.599
O5	-2.194	0.599
C6	0.657	-1.251
C7	-0.657	-1.251
H8	1.344	-2.069
H9	-1.344	-2.069

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3561	1.3561	2.2216	2.2216	2.2925	2.2925	3.3005	3.3005
C2	1.3561		2.2211	1.1665	3.3329	1.4890	2.2658	2.2483	3.3204
C3	1.3561	2.2211		3.3329	1.1665	2.2658	1.4890	3.3204	2.2483
O4	2.2216	1.1665	3.3329		4.3887	2.4052	3.3983	2.7998	4.4312
O5	2.2216	3.3329	1.1665	4.3887		3.3983	2.4052	4.4312	2.7998
C6	2.2925	1.4890	2.2658	2.4052	3.3983		1.3131	1.0685	2.1614
C7	2.2925	2.2658	1.4890	3.3983	2.4052	1.3131		2.1614	1.0685
H8	3.3005	2.2483	3.3204	2.7998	4.4312	1.0685	2.1614		2.6880
H9	3.3005	3.3204	2.2483	4.4312	2.7998	2.1614	1.0685	2.6880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.274	O1	C2	C6	107.273
O1	C3	O5	123.274	O1	C3	C7	107.273
C2	O1	C3	109.950	C2	C6	C7	107.752
C2	C6	H8	122.210	C3	C7	C6	107.752
C3	C7	H9	122.210	O4	C2	C6	129.453
O5	C3	C7	129.453	C6	C7	H9	130.039
C7	C6	H8	130.039

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.384
2	C	1.600
3	C	1.600
4	O	-1.417
5	O	-1.417
6	C	-0.743
7	C	-0.743
8	H	0.751
9	H	0.751

<r²>	166.833
(<r²>)^1/2	12.916

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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