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	hartrees
Energy at 0K	-379.205176
Energy at 298.15K	-379.208356
HF Energy	-379.205176
Nuclear repulsion energy	273.849941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3161	0.04
2	A₁	1847	1821	54.03
3	A₁	1606	1584	2.97
4	A₁	1220	1203	133.38
5	A₁	1053	1038	24.28
6	A₁	848	836	5.99
7	A₁	623	614	0.81
8	A₁	390	384	7.58
9	A₂	962	948	0.00
10	A₂	765	754	0.00
11	A₂	259	256	0.00
12	B₁	839	827	60.91
13	B₁	625	616	0.02
14	B₁	163	161	2.88
15	B₂	3185	3140	0.07
16	B₂	1786	1761	550.20
17	B₂	1300	1282	3.49
18	B₂	1015	1001	24.80
19	B₂	840	828	117.07
20	B₂	676	667	67.36
21	B₂	547	540	5.24

Atom	y (Å)	z (Å)
O1	0.000	0.979
C2	1.138	0.156
C3	-1.138	0.156
O4	2.251	0.597
O5	-2.251	0.597
C6	0.668	-1.257
C7	-0.668	-1.257
H8	1.359	-2.090
H9	-1.359	-2.090

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4042	1.4042	2.2833	2.2833	2.3339	2.3339	3.3564	3.3564
C2	1.4042		2.2754	1.1973	3.4172	1.4891	2.2931	2.2569	3.3581
C3	1.4042	2.2754		3.4172	1.1973	2.2931	1.4891	3.3581	2.2569
O4	2.2833	1.1973	3.4172		4.5020	2.4375	3.4581	2.8308	4.4998
O5	2.2833	3.4172	1.1973	4.5020		3.4581	2.4375	4.4998	2.8308
C6	2.3339	1.4891	2.2931	2.4375	3.4581		1.3364	1.0819	2.1914
C7	2.3339	2.2931	1.4891	3.4581	2.4375	1.3364		2.1914	1.0819
H8	3.3564	2.2569	3.3581	2.8308	4.4998	1.0819	2.1914		2.7176
H9	3.3564	3.3581	2.2569	4.4998	2.8308	2.1914	1.0819	2.7176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.257	O1	C2	C6	106.979
O1	C3	O5	123.257	O1	C3	C7	106.979
C2	O1	C3	109.663	C2	C6	C7	108.189
C2	C6	H8	121.890	C3	C7	C6	108.189
C3	C7	H9	121.890	O4	C2	C6	129.763
O5	C3	C7	129.763	C6	C7	H9	129.921
C7	C6	H8	129.921

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	O	-0.136
2	C	0.269
3	C	0.269
4	O	-0.212
5	O	-0.212
6	C	-0.121
7	C	-0.121
8	H	0.132
9	H	0.132

<r²>	172.018
(<r²>)^1/2	13.116

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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