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	hartrees
Energy at 0K	-378.761889
Energy at 298.15K
HF Energy	-378.761889
Nuclear repulsion energy	268.968992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3194	0.10
2	A₁	1778	1754	33.07
3	A₁	1603	1581	4.60
4	A₁	1188	1172	76.89
5	A₁	1057	1042	48.65
6	A₁	833	821	12.80
7	A₁	604	596	1.01
8	A₁	373	368	7.44
9	A₂	961	948	0.00
10	A₂	712	703	0.00
11	A₂	267	264	0.00
12	B₁	829	817	74.35
13	B₁	607	598	0.24
14	B₁	165	163	1.60
15	B₂	3215	3171	0.47
16	B₂	1718	1694	393.24
17	B₂	1312	1294	3.70
18	B₂	1018	1004	23.67
19	B₂	786	775	77.17
20	B₂	666	656	80.33
21	B₂	529	522	9.18

Atom	y (Å)	z (Å)
O1	0.000	1.004
C2	1.163	0.148
C3	-1.163	0.148
O4	2.307	0.596
O5	-2.307	0.596
C6	0.676	-1.261
C7	-0.676	-1.261
H8	1.360	-2.107
H9	-1.360	-2.107

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4441	1.4441	2.3430	2.3430	2.3641	2.3641	3.3959	3.3959
C2	1.4441		2.3254	1.2290	3.4987	1.4904	2.3167	2.2638	3.3839
C3	1.4441	2.3254		3.4987	1.2290	2.3167	1.4904	3.3839	2.2638
O4	2.3430	1.2290	3.4987		4.6143	2.4712	3.5141	2.8642	4.5558
O5	2.3430	3.4987	1.2290	4.6143		3.5141	2.4712	4.5558	2.8642
C6	2.3641	1.4904	2.3167	2.4712	3.5141		1.3528	1.0880	2.2054
C7	2.3641	2.3167	1.4904	3.5141	2.4712	1.3528		2.2054	1.0880
H8	3.3959	2.2638	3.3839	2.8642	4.5558	1.0880	2.2054		2.7202
H9	3.3959	3.3839	2.2638	4.5558	2.8642	2.2054	1.0880	2.7202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.249	O1	C2	C6	107.332
O1	C3	O5	122.249	O1	C3	C7	107.332
C2	O1	C3	107.248	C2	C6	C7	109.044
C2	C6	H8	122.024	C3	C7	C6	109.044
C3	C7	H9	122.024	O4	C2	C6	130.420
O5	C3	C7	130.420	C6	C7	H9	128.932
C7	C6	H8	128.932

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

using model chemistry: PBEPBE/6-31G

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	-0.422
2	C	0.442
3	C	0.442
4	O	-0.321
5	O	-0.321
6	C	-0.116
7	C	-0.116
8	H	0.206
9	H	0.206

<r²>	177.915
(<r²>)^1/2	13.338

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

using model chemistry: PBEPBE/6-31G

States and conformations

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