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	hartrees
Energy at 0K	-379.181444
Energy at 298.15K	-379.184772
HF Energy	-379.181444
Nuclear repulsion energy	275.440970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3155	1.35
2	A₁	1964	1871	67.26
3	A₁	1697	1617	2.65
4	A₁	1304	1242	172.66
5	A₁	1086	1034	19.54
6	A₁	890	848	4.50
7	A₁	645	615	0.46
8	A₁	407	388	12.51
9	A₂	997	950	0.00
10	A₂	765	729	0.00
11	A₂	263	251	0.00
12	B₁	866	825	84.37
13	B₁	648	618	0.28
14	B₁	165	157	3.52
15	B₂	3291	3135	1.08
16	B₂	1896	1806	778.47
17	B₂	1342	1279	1.31
18	B₂	1091	1039	99.36
19	B₂	948	903	128.86
20	B₂	711	678	31.75
21	B₂	563	536	2.83

Atom	y (Å)	z (Å)
O1	0.000	0.959
C2	1.126	0.164
C3	-1.126	0.164
O4	2.233	0.605
O5	-2.233	0.605
C6	0.666	-1.262
C7	-0.666	-1.262
H8	1.362	-2.090
H9	-1.362	-2.090

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3783	1.3783	2.2609	2.2609	2.3190	2.3190	3.3395	3.3395
C2	1.3783		2.2513	1.1917	3.3873	1.4983	2.2897	2.2661	3.3568
C3	1.3783	2.2513		3.3873	1.1917	2.2897	1.4983	3.3568	2.2661
O4	2.2609	1.1917	3.3873		4.4658	2.4372	3.4478	2.8316	4.4926
O5	2.2609	3.3873	1.1917	4.4658		3.4478	2.4372	4.4926	2.8316
C6	2.3190	1.4983	2.2897	2.4372	3.4478		1.3317	1.0816	2.1904
C7	2.3190	2.2897	1.4983	3.4478	2.4372	1.3317		2.1904	1.0816
H8	3.3395	2.2661	3.3568	2.8316	4.4926	1.0816	2.1904		2.7242
H9	3.3395	3.3568	2.2661	4.4926	2.8316	2.1904	1.0816	2.7242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.056	O1	C2	C6	107.371
O1	C3	O5	123.056	O1	C3	C7	107.371
C2	O1	C3	109.514	C2	C6	C7	107.872
C2	C6	H8	122.058	C3	C7	C6	107.872
C3	C7	H9	122.058	O4	C2	C6	129.573
O5	C3	C7	129.573	C6	C7	H9	130.070
C7	C6	H8	130.070

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

using model chemistry: wB97X-D/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	-0.357
2	C	0.361
3	C	0.361
4	O	-0.451
5	O	-0.451
6	C	0.058
7	C	0.058
8	H	0.211
9	H	0.211

<r²>	170.777
(<r²>)^1/2	13.068

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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