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	hartrees
Energy at 0K	-379.242878
Energy at 298.15K	-379.245972
HF Energy	-379.242878
Nuclear repulsion energy	271.355604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3181	0.00
2	A₁	1820	1823	50.09
3	A₁	1591	1594	2.55
4	A₁	1201	1203	128.06
5	A₁	1023	1024	22.45
6	A₁	834	835	6.65
7	A₁	605	606	1.06
8	A₁	381	381	6.88
9	A₂	948	949	0.00
10	A₂	747	749	0.00
11	A₂	259	259	0.00
12	B₁	828	829	49.45
13	B₁	617	618	0.11
14	B₁	163	164	2.09
15	B₂	3154	3159	0.04
16	B₂	1764	1767	465.84
17	B₂	1271	1273	2.32
18	B₂	996	998	24.66
19	B₂	817	818	97.73
20	B₂	664	665	60.86
21	B₂	534	535	4.21

Atom	y (Å)	z (Å)
O1	0.000	0.990
C2	1.147	0.156
C3	-1.147	0.156
O4	2.271	0.603
O5	-2.271	0.603
C6	0.675	-1.268
C7	-0.675	-1.268
H8	1.375	-2.111
H9	-1.375	-2.111

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4176	1.4176	2.3035	2.3035	2.3564	2.3564	3.3918	3.3918
C2	1.4176		2.2931	1.2095	3.4463	1.5001	2.3120	2.2783	3.3907
C3	1.4176	2.2931		3.4463	1.2095	2.3120	1.5001	3.3907	2.2783
O4	2.3035	1.2095	3.4463		4.5414	2.4586	3.4892	2.8572	4.5445
O5	2.3035	3.4463	1.2095	4.5414		3.4892	2.4586	4.5445	2.8572
C6	2.3564	1.5001	2.3120	2.4586	3.4892		1.3498	1.0957	2.2164
C7	2.3564	2.3120	1.5001	3.4892	2.4586	1.3498		2.2164	1.0957
H8	3.3918	2.2783	3.3907	2.8572	4.5445	1.0957	2.2164		2.7500
H9	3.3918	3.3907	2.2783	4.5445	2.8572	2.2164	1.0957	2.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.325	O1	C2	C6	107.698
O1	C3	O5	122.325	O1	C3	C7	107.698
C2	O1	C3	107.955	C2	C6	C7	108.325
C2	C6	H8	121.960	C3	C7	C6	108.325
C3	C7	H9	121.960	O4	C2	C6	129.977
O5	C3	C7	129.977	C6	C7	H9	129.716
C7	C6	H8	129.716

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

using model chemistry: BLYP/cc-pVDZ

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	-0.170
2	C	0.168
3	C	0.168
4	O	-0.128
5	O	-0.128
6	C	0.048
7	C	0.048
8	H	-0.003
9	H	-0.003

<r²>	174.468
(<r²>)^1/2	13.209

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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