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	hartrees
Energy at 0K	-377.025225
Energy at 298.15K	-377.028600
HF Energy	-377.025225
Nuclear repulsion energy	272.078155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3146	4.11
2	A₁	1957	1853	43.54
3	A₁	1680	1591	3.37
4	A₁	1233	1168	116.05
5	A₁	1099	1041	62.63
6	A₁	851	806	2.88
7	A₁	645	611	0.04
8	A₁	400	379	9.91
9	A₂	1061	1005	0.00
10	A₂	789	747	0.00
11	A₂	295	280	0.00
12	B₁	912	863	113.51
13	B₁	661	626	0.40
14	B₁	184	174	0.85
15	B₂	3298	3124	5.43
16	B₂	1879	1780	452.90
17	B₂	1352	1281	8.31
18	B₂	1043	988	78.68
19	B₂	918	870	89.31
20	B₂	722	683	26.56
21	B₂	557	527	3.14

Atom	y (Å)	z (Å)
O1	0.000	0.981
C2	1.151	0.159
C3	-1.151	0.159
O4	2.271	0.602
O5	-2.271	0.602
C6	0.665	-1.266
C7	-0.665	-1.266
H8	1.348	-2.099
H9	-1.348	-2.099

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4140	1.4140	2.3022	2.3022	2.3433	2.3433	3.3617	3.3617
C2	1.4140		2.3010	1.2047	3.4499	1.5052	2.3081	2.2663	3.3671
C3	1.4140	2.3010		3.4499	1.2047	2.3081	1.5052	3.3671	2.2663
O4	2.3022	1.2047	3.4499		4.5415	2.4631	3.4799	2.8543	4.5152
O5	2.3022	3.4499	1.2047	4.5415		3.4799	2.4631	4.5152	2.8543
C6	2.3433	1.5052	2.3081	2.4631	3.4799		1.3307	1.0766	2.1784
C7	2.3433	2.3081	1.5052	3.4799	2.4631	1.3307		2.1784	1.0766
H8	3.3617	2.2663	3.3671	2.8543	4.5152	1.0766	2.1784		2.6951
H9	3.3617	3.3671	2.2663	4.5152	2.8543	2.1784	1.0766	2.6951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.873	O1	C2	C6	106.740
O1	C3	O5	122.873	O1	C3	C7	106.740
C2	O1	C3	108.910	C2	C6	C7	108.805
C2	C6	H8	121.875	C3	C7	C6	108.805
C3	C7	H9	121.875	O4	C2	C6	130.388
O5	C3	C7	130.388	C6	C7	H9	129.319
C7	C6	H8	129.319

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

using model chemistry: M06-2X/3-21G*

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	-0.543
2	C	0.687
3	C	0.687
4	O	-0.436
5	O	-0.436
6	C	-0.252
7	C	-0.252
8	H	0.272
9	H	0.272

<r²>	174.546
(<r²>)^1/2	13.212

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

using model chemistry: M06-2X/3-21G*

States and conformations

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