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	hartrees
Energy at 0K	-379.200167
Energy at 298.15K	-379.203504
HF Energy	-379.200167
Nuclear repulsion energy	276.161157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	3171	1.29
2	A₁	1961	1885	66.72
3	A₁	1696	1630	3.09
4	A₁	1315	1264	171.76
5	A₁	1056	1015	16.05
6	A₁	902	867	6.38
7	A₁	641	616	0.41
8	A₁	408	393	11.00
9	A₂	989	951	0.00
10	A₂	789	758	0.00
11	A₂	263	253	0.00
12	B₁	868	834	67.20
13	B₁	650	624	0.08
14	B₁	167	160	2.67
15	B₂	3275	3148	0.70
16	B₂	1900	1826	616.41
17	B₂	1328	1277	0.50
18	B₂	1080	1038	88.46
19	B₂	951	914	91.79
20	B₂	709	682	27.65
21	B₂	567	545	1.65

Atom	y (Å)	z (Å)
O1	0.000	0.964
C2	1.120	0.159
C3	-1.120	0.159
O4	2.226	0.600
O5	-2.226	0.600
C6	0.666	-1.254
C7	-0.666	-1.254
H8	1.364	-2.086
H9	-1.364	-2.086

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3791	1.3791	2.2558	2.2558	2.3152	2.3152	3.3404	3.3404
C2	1.3791		2.2399	1.1910	3.3752	1.4839	2.2772	2.2578	3.3477
C3	1.3791	2.2399		3.3752	1.1910	2.2772	1.4839	3.3477	2.2578
O4	2.2558	1.1910	3.3752		4.4525	2.4229	3.4353	2.8207	4.4834
O5	2.2558	3.3752	1.1910	4.4525		3.4353	2.4229	4.4834	2.8207
C6	2.3152	1.4839	2.2772	2.4229	3.4353		1.3320	1.0858	2.1936
C7	2.3152	2.2772	1.4839	3.4353	2.4229	1.3320		2.1936	1.0858
H8	3.3404	2.2578	3.3477	2.8207	4.4834	1.0858	2.1936		2.7275
H9	3.3404	3.3477	2.2578	4.4834	2.8207	2.1936	1.0858	2.7275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.570	O1	C2	C6	107.882
O1	C3	O5	122.570	O1	C3	C7	107.882
C2	O1	C3	108.608	C2	C6	C7	107.814
C2	C6	H8	122.199	C3	C7	C6	107.814
C3	C7	H9	122.199	O4	C2	C6	129.547
O5	C3	C7	129.547	C6	C7	H9	129.987
C7	C6	H8	129.987

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

using model chemistry: B1B95/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	-0.211
2	C	0.245
3	C	0.245
4	O	-0.172
5	O	-0.172
6	C	-0.006
7	C	-0.006
8	H	0.039
9	H	0.039

<r²>	169.160
(<r²>)^1/2	13.006

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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