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	hartrees
Energy at 0K	-377.055508
Energy at 298.15K
HF Energy	-377.055508
Nuclear repulsion energy	272.623668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3338	3193	1.74
2	A₁	1918	1835	37.62
3	A₁	1682	1609	3.70
4	A₁	1221	1168	91.10
5	A₁	1096	1049	71.83
6	A₁	849	812	4.00
7	A₁	637	609	0.09
8	A₁	392	375	8.74
9	A₂	1048	1002	0.00
10	A₂	786	752	0.00
11	A₂	295	282	0.00
12	B₁	906	866	104.68
13	B₁	656	628	0.12
14	B₁	175	167	0.83
15	B₂	3313	3170	2.20
16	B₂	1844	1764	405.63
17	B₂	1354	1295	9.00
18	B₂	1025	981	45.75
19	B₂	889	851	101.93
20	B₂	708	678	33.23
21	B₂	551	527	3.81

Atom	y (Å)	z (Å)
O1	0.000	0.980
C2	1.148	0.154
C3	-1.148	0.154
O4	2.269	0.599
O5	-2.269	0.599
C6	0.665	-1.258
C7	-0.665	-1.258
H8	1.343	-2.092
H9	-1.343	-2.092

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4147	1.4147	2.3005	2.3005	2.3350	2.3350	3.3534	3.3534
C2	1.4147		2.2969	1.2054	3.4460	1.4927	2.2984	2.2549	3.3549
C3	1.4147	2.2969		3.4460	1.2054	2.2984	1.4927	3.3549	2.2549
O4	2.3005	1.2054	3.4460		4.5374	2.4538	3.4721	2.8461	4.5045
O5	2.3005	3.4460	1.2054	4.5374		3.4721	2.4538	4.5045	2.8461
C6	2.3350	1.4927	2.2984	2.4538	3.4721		1.3299	1.0753	2.1747
C7	2.3350	2.2984	1.4927	3.4721	2.4538	1.3299		2.1747	1.0753
H8	3.3534	2.2549	3.3549	2.8461	4.5045	1.0753	2.1747		2.6866
H9	3.3534	3.3549	2.2549	4.5045	2.8461	2.1747	1.0753	2.6866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.606	O1	C2	C6	106.829
O1	C3	O5	122.606	O1	C3	C7	106.829
C2	O1	C3	108.542	C2	C6	C7	108.900
C2	C6	H8	121.987	C3	C7	C6	108.900
C3	C7	H9	121.987	O4	C2	C6	130.565
O5	C3	C7	130.565	C6	C7	H9	129.113
C7	C6	H8	129.113

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

using model chemistry: B1B95/3-21G

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	-0.520
2	C	0.674
3	C	0.674
4	O	-0.436
5	O	-0.436
6	C	-0.251
7	C	-0.251
8	H	0.273
9	H	0.273

<r²>	173.610
(<r²>)^1/2	13.176

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

using model chemistry: B1B95/3-21G

States and conformations

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