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	hartrees
Energy at 0K	-379.217451
Energy at 298.15K	-379.220513
HF Energy	-379.217451
Nuclear repulsion energy	271.428986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3167	0.03
2	A₁	1830	1816	44.83
3	A₁	1596	1583	2.64
4	A₁	1206	1197	128.78
5	A₁	1050	1042	26.44
6	A₁	834	828	6.79
7	A₁	607	603	0.76
8	A₁	380	377	7.62
9	A₂	938	931	0.00
10	A₂	730	724	0.00
11	A₂	256	254	0.00
12	B₁	820	814	54.10
13	B₁	613	608	0.59
14	B₁	163	162	2.53
15	B₂	3172	3148	0.01
16	B₂	1773	1760	450.36
17	B₂	1294	1284	3.20
18	B₂	1007	999	22.69
19	B₂	821	815	98.22
20	B₂	664	659	56.86
21	B₂	536	532	3.82

Atom	y (Å)	z (Å)
O1	0.000	0.989
C2	1.147	0.156
C3	-1.147	0.156
O4	2.273	0.600
O5	-2.273	0.600
C6	0.674	-1.266
C7	-0.674	-1.266
H8	1.368	-2.104
H9	-1.368	-2.104

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4177	1.4177	2.3065	2.3065	2.3535	2.3535	3.3824	3.3824
C2	1.4177		2.2936	1.2111	3.4490	1.4982	2.3097	2.2707	3.3811
C3	1.4177	2.2936		3.4490	1.2111	2.3097	1.4982	3.3811	2.2707
O4	2.3065	1.2111	3.4490		4.5469	2.4579	3.4882	2.8519	4.5359
O5	2.3065	3.4490	1.2111	4.5469		3.4882	2.4579	4.5359	2.8519
C6	2.3535	1.4982	2.3097	2.4579	3.4882		1.3473	1.0886	2.2072
C7	2.3535	2.3097	1.4982	3.4882	2.4579	1.3473		2.2072	1.0886
H8	3.3824	2.2707	3.3811	2.8519	4.5359	1.0886	2.2072		2.7362
H9	3.3824	3.3811	2.2707	4.5359	2.8519	2.2072	1.0886	2.7362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.461	O1	C2	C6	107.598
O1	C3	O5	122.461	O1	C3	C7	107.598
C2	O1	C3	107.983	C2	C6	C7	108.411
C2	C6	H8	121.954	C3	C7	C6	108.411
C3	C7	H9	121.954	O4	C2	C6	129.941
O5	C3	C7	129.941	C6	C7	H9	129.635
C7	C6	H8	129.635

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

using model chemistry: BLYP/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	-0.420
2	C	0.556
3	C	0.556
4	O	-0.391
5	O	-0.391
6	C	-0.072
7	C	-0.072
8	H	0.117
9	H	0.117

<r²>	174.404
(<r²>)^1/2	13.206

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

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

States and conformations

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