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	hartrees
Energy at 0K	-378.915458
Energy at 298.15K
HF Energy	-378.915458
Nuclear repulsion energy	272.640834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3177	0.28
2	A₁	1850	1839	50.04
3	A₁	1611	1602	3.19
4	A₁	1234	1227	134.87
5	A₁	1018	1012	19.36
6	A₁	857	852	6.95
7	A₁	613	609	0.78
8	A₁	387	385	7.66
9	A₂	943	938	0.00
10	A₂	755	750	0.00
11	A₂	254	252	0.00
12	B₁	828	823	53.86
13	B₁	621	617	0.01
14	B₁	164	163	2.11
15	B₂	3173	3154	0.05
16	B₂	1795	1784	474.04
17	B₂	1271	1264	1.66
18	B₂	1012	1006	37.88
19	B₂	854	850	102.66
20	B₂	675	671	43.05
21	B₂	541	538	2.54

Atom	y (Å)	z (Å)
O1	0.000	0.982
C2	1.137	0.156
C3	-1.137	0.156
O4	2.259	0.602
O5	-2.259	0.602
C6	0.674	-1.263
C7	-0.674	-1.263
H8	1.376	-2.105
H9	-1.376	-2.105

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4053	1.4053	2.2903	2.2903	2.3443	2.3443	3.3799	3.3799
C2	1.4053		2.2736	1.2074	3.4246	1.4928	2.3004	2.2733	3.3803
C3	1.4053	2.2736		3.4246	1.2074	2.3004	1.4928	3.3803	2.2733
O4	2.2903	1.2074	3.4246		4.5172	2.4480	3.4755	2.8473	4.5323
O5	2.2903	3.4246	1.2074	4.5172		3.4755	2.4480	4.5323	2.8473
C6	2.3443	1.4928	2.3004	2.4480	3.4755		1.3474	1.0963	2.2161
C7	2.3443	2.3004	1.4928	3.4755	2.4480	1.3474		2.2161	1.0963
H8	3.3799	2.2733	3.3803	2.8473	4.5323	1.0963	2.2161		2.7528
H9	3.3799	3.3803	2.2733	4.5323	2.8473	2.2161	1.0963	2.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.280	O1	C2	C6	107.939
O1	C3	O5	122.280	O1	C3	C7	107.939
C2	O1	C3	107.976	C2	C6	C7	108.073
C2	C6	H8	122.063	C3	C7	C6	108.073
C3	C7	H9	122.063	O4	C2	C6	129.781
O5	C3	C7	129.781	C6	C7	H9	129.864
C7	C6	H8	129.864

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.171
2	C	0.189
3	C	0.189
4	O	-0.139
5	O	-0.139
6	C	0.009
7	C	0.009
8	H	0.026
9	H	0.026

<r²>	172.884
(<r²>)^1/2	13.149

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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