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	hartrees
Energy at 0K	-379.198772
Energy at 298.15K	-379.202083
HF Energy	-379.198772
Nuclear repulsion energy	275.654574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3149	1.08
2	A₁	1967	1871	59.84
3	A₁	1690	1608	3.33
4	A₁	1311	1247	170.80
5	A₁	1086	1033	18.69
6	A₁	897	853	5.70
7	A₁	645	614	0.32
8	A₁	407	388	11.71
9	A₂	986	939	0.00
10	A₂	772	735	0.00
11	A₂	262	249	0.00
12	B₁	862	820	76.95
13	B₁	647	616	0.37
14	B₁	168	160	3.12
15	B₂	3288	3129	0.77
16	B₂	1904	1811	591.26
17	B₂	1346	1281	2.10
18	B₂	1088	1035	73.65
19	B₂	948	902	99.67
20	B₂	712	677	27.30
21	B₂	566	539	1.59

Atom	y (Å)	z (Å)
O1	0.000	0.965
C2	1.124	0.159
C3	-1.124	0.159
O4	2.233	0.600
O5	-2.233	0.600
C6	0.666	-1.255
C7	-0.666	-1.255
H8	1.359	-2.084
H9	-1.359	-2.084

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.3827	1.3827	2.2629	2.2629	2.3173	2.3173	3.3377	3.3377
C2	1.3827		2.2476	1.1937	3.3858	1.4864	2.2810	2.2554	3.3458
C3	1.3827	2.2476		3.3858	1.1937	2.2810	1.4864	3.3458	2.2554
O4	2.2629	1.1937	3.3858		4.4665	2.4281	3.4416	2.8224	4.4837
O5	2.2629	3.3858	1.1937	4.4665		3.4416	2.4281	4.4837	2.8224
C6	2.3173	1.4864	2.2810	2.4281	3.4416		1.3319	1.0803	2.1878
C7	2.3173	2.2810	1.4864	3.4416	2.4281	1.3319		2.1878	1.0803
H8	3.3377	2.2554	3.3458	2.8224	4.4837	1.0803	2.1878		2.7174
H9	3.3377	3.3458	2.2554	4.4837	2.8224	2.1878	1.0803	2.7174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.721	O1	C2	C6	107.691
O1	C3	O5	122.721	O1	C3	C7	107.691
C2	O1	C3	108.739	C2	C6	C7	107.940
C2	C6	H8	122.178	C3	C7	C6	107.940
C3	C7	H9	122.178	O4	C2	C6	129.589
O5	C3	C7	129.589	C6	C7	H9	129.882
C7	C6	H8	129.882

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

using model chemistry: mPW1PW91/6-31G**

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	-0.475
2	C	0.632
3	C	0.632
4	O	-0.425
5	O	-0.425
6	C	-0.157
7	C	-0.157
8	H	0.188
9	H	0.188

<r²>	169.795
(<r²>)^1/2	13.031

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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