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	hartrees
Energy at 0K	-379.296416
Energy at 298.15K	-379.299680
HF Energy	-379.296416
Nuclear repulsion energy	276.271685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3147	1.64
2	A₁	1963	1875	66.21
3	A₁	1694	1617	2.48
4	A₁	1292	1234	180.07
5	A₁	1085	1036	22.14
6	A₁	882	842	3.50
7	A₁	650	621	0.85
8	A₁	413	394	11.30
9	A₂	954	911	0.00
10	A₂	763	729	0.00
11	A₂	226	216	0.00
12	B₁	860	822	80.59
13	B₁	645	616	0.10
14	B₁	161	154	3.38
15	B₂	3275	3127	1.31
16	B₂	1894	1809	754.80
17	B₂	1338	1278	3.09
18	B₂	1074	1026	84.31
19	B₂	939	896	140.32
20	B₂	710	678	38.97
21	B₂	569	544	3.38

Atom	y (Å)	z (Å)
O1	0.000	0.959
C2	1.123	0.165
C3	-1.123	0.165
O4	2.223	0.602
O5	-2.223	0.602
C6	0.662	-1.259
C7	-0.662	-1.259
H8	1.356	-2.085
H9	-1.356	-2.085

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3757	1.3757	2.2521	2.2521	2.3152	2.3152	3.3332	3.3332
C2	1.3757		2.2458	1.1841	3.3748	1.4963	2.2833	2.2620	3.3479
C3	1.3757	2.2458		3.3748	1.1841	2.2833	1.4963	3.3479	2.2620
O4	2.2521	1.1841	3.3748		4.4469	2.4289	3.4335	2.8234	4.4760
O5	2.2521	3.3748	1.1841	4.4469		3.4335	2.4289	4.4760	2.8234
C6	2.3152	1.4963	2.2833	2.4289	3.4335		1.3244	1.0791	2.1811
C7	2.3152	2.2833	1.4963	3.4335	2.4289	1.3244		2.1811	1.0791
H8	3.3332	2.2620	3.3479	2.8234	4.4760	1.0791	2.1811		2.7126
H9	3.3332	3.3479	2.2620	4.4760	2.8234	2.1811	1.0791	2.7126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.053	O1	C2	C6	107.359
O1	C3	O5	123.053	O1	C3	C7	107.359
C2	O1	C3	109.418	C2	C6	C7	107.932
C2	C6	H8	122.038	C3	C7	C6	107.932
C3	C7	H9	122.038	O4	C2	C6	129.588
O5	C3	C7	129.588	C6	C7	H9	130.030
C7	C6	H8	130.030

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

using model chemistry: wB97X-D/TZVP

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	-0.112
2	C	0.243
3	C	0.243
4	O	-0.254
5	O	-0.254
6	C	-0.123
7	C	-0.123
8	H	0.190
9	H	0.190

<r²>	169.767
(<r²>)^1/2	13.029

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

using model chemistry: wB97X-D/TZVP

States and conformations

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