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	hartrees
Energy at 0K	-379.321024
Energy at 298.15K	-379.324083
HF Energy	-379.321024
Nuclear repulsion energy	272.040021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3163	0.59
2	A₁	1818	1814	50.27
3	A₁	1589	1585	2.61
4	A₁	1188	1185	126.92
5	A₁	1048	1046	35.64
6	A₁	827	825	6.62
7	A₁	606	605	1.69
8	A₁	383	382	7.03
9	A₂	937	934	0.00
10	A₂	744	742	0.00
11	A₂	252	252	0.00
12	B₁	823	821	67.27
13	B₁	616	614	0.00
14	B₁	162	162	2.18
15	B₂	3151	3143	0.72
16	B₂	1763	1759	509.74
17	B₂	1290	1287	3.74
18	B₂	997	995	16.97
19	B₂	809	807	95.69
20	B₂	654	652	81.08
21	B₂	535	534	8.26

Atom	y (Å)	z (Å)
O1	0.000	0.989
C2	1.148	0.157
C3	-1.148	0.157
O4	2.267	0.598
O5	-2.267	0.598
C6	0.671	-1.263
C7	-0.671	-1.263
H8	1.364	-2.102
H9	-1.364	-2.102

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4180	1.4180	2.3003	2.3003	2.3508	2.3508	3.3789	3.3789
C2	1.4180		2.2957	1.2029	3.4431	1.4981	2.3080	2.2690	3.3783
C3	1.4180	2.2957		3.4431	1.2029	2.3080	1.4981	3.3783	2.2690
O4	2.3003	1.2029	3.4431		4.5337	2.4517	3.4783	2.8468	4.5250
O5	2.3003	3.4431	1.2029	4.5337		3.4783	2.4517	4.5250	2.8468
C6	2.3508	1.4981	2.3080	2.4517	3.4783		1.3427	1.0877	2.2016
C7	2.3508	2.3080	1.4981	3.4783	2.4517	1.3427		2.2016	1.0877
H8	3.3789	2.2690	3.3783	2.8468	4.5250	1.0877	2.2016		2.7287
H9	3.3789	3.3783	2.2690	4.5250	2.8468	2.2016	1.0877	2.7287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.523	O1	C2	C6	107.408
O1	C3	O5	122.523	O1	C3	C7	107.408
C2	O1	C3	108.091	C2	C6	C7	108.547
C2	C6	H8	121.876	C3	C7	C6	108.547
C3	C7	H9	121.876	O4	C2	C6	130.069
O5	C3	C7	130.069	C6	C7	H9	129.577
C7	C6	H8	129.577

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

using model chemistry: BLYP/6-311G*

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	-0.249
2	C	0.350
3	C	0.350
4	O	-0.229
5	O	-0.229
6	C	-0.224
7	C	-0.224
8	H	0.227
9	H	0.227

<r²>	174.188
(<r²>)^1/2	13.198

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

using model chemistry: BLYP/6-311G*

States and conformations

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