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	hartrees
Energy at 0K	-379.081103
Energy at 298.15K	-379.084212
HF Energy	-379.081103
Nuclear repulsion energy	272.688295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3168	0.00
2	A₁	1845	1813	50.01
3	A₁	1608	1581	2.85
4	A₁	1224	1203	137.35
5	A₁	1057	1038	25.32
6	A₁	850	836	7.07
7	A₁	618	608	1.12
8	A₁	386	379	8.30
9	A₂	939	923	0.00
10	A₂	738	725	0.00
11	A₂	253	248	0.00
12	B₁	823	808	68.11
13	B₁	617	606	0.00
14	B₁	162	159	2.85
15	B₂	3202	3147	0.00
16	B₂	1785	1754	613.64
17	B₂	1301	1279	2.44
18	B₂	1023	1005	30.34
19	B₂	842	827	130.88
20	B₂	676	664	63.55
21	B₂	541	532	5.28

Atom	y (Å)	z (Å)
O1	0.000	0.982
C2	1.140	0.156
C3	-1.140	0.156
O4	2.261	0.600
O5	-2.261	0.600
C6	0.672	-1.262
C7	-0.672	-1.262
H8	1.367	-2.096
H9	-1.367	-2.096

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4075	1.4075	2.2934	2.2934	2.3423	2.3423	3.3678	3.3678
C2	1.4075		2.2792	1.2065	3.4299	1.4927	2.3008	2.2633	3.3696
C3	1.4075	2.2792		3.4299	1.2065	2.3008	1.4927	3.3696	2.2633
O4	2.2934	1.2065	3.4299		4.5228	2.4476	3.4747	2.8404	4.5203
O5	2.2934	3.4299	1.2065	4.5228		3.4747	2.4476	4.5203	2.8404
C6	2.3423	1.4927	2.3008	2.4476	3.4747		1.3450	1.0854	2.2035
C7	2.3423	2.3008	1.4927	3.4747	2.4476	1.3450		2.2035	1.0854
H8	3.3678	2.2633	3.3696	2.8404	4.5203	1.0854	2.2035		2.7341
H9	3.3678	3.3696	2.2633	4.5203	2.8404	2.2035	1.0854	2.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.273	O1	C2	C6	107.051
O1	C3	O5	123.273	O1	C3	C7	107.051
C2	O1	C3	109.701	C2	C6	C7	108.099
C2	C6	H8	121.897	C3	C7	C6	108.099
C3	C7	H9	121.897	O4	C2	C6	129.676
O5	C3	C7	129.676	C6	C7	H9	130.005
C7	C6	H8	130.005

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

using model chemistry: B97D3/6-31+G**

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	-0.314
2	C	0.306
3	C	0.306
4	O	-0.420
5	O	-0.420
6	C	0.088
7	C	0.088
8	H	0.182
9	H	0.182

<r²>	173.745
(<r²>)^1/2	13.181

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

using model chemistry: B97D3/6-31+G**

States and conformations

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