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	hartrees
Energy at 0K	-379.062480
Energy at 298.15K	-379.065577
HF Energy	-379.062480
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3161	0.28
2	A₁	1866	1829	47.37
3	A₁	1617	1585	2.82
4	A₁	1234	1209	139.85
5	A₁	1061	1040	25.19
6	A₁	851	835	6.99
7	A₁	621	608	0.74
8	A₁	387	379	8.37
9	A₂	939	921	0.00
10	A₂	741	727	0.00
11	A₂	252	247	0.00
12	B₁	825	809	63.83
13	B₁	619	606	0.22
14	B₁	164	160	2.58
15	B₂	3204	3141	0.26
16	B₂	1806	1770	485.79
17	B₂	1307	1282	3.09
18	B₂	1024	1004	26.10
19	B₂	848	832	105.95
20	B₂	678	665	50.20
21	B₂	542	532	3.31

Atom	y (Å)	z (Å)
O1	0.000	0.982
C2	1.140	0.157
C3	-1.140	0.157
O4	2.261	0.599
O5	-2.261	0.599
C6	0.672	-1.261
C7	-0.672	-1.261
H8	1.367	-2.096
H9	-1.367	-2.096

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4069	1.4069	2.2929	2.2929	2.3412	2.3412	3.3675	3.3675
C2	1.4069		2.2794	1.2053	3.4292	1.4930	2.3004	2.2642	3.3699
C3	1.4069	2.2794		3.4292	1.2053	2.3004	1.4930	3.3699	2.2642
O4	2.2929	1.2053	3.4292		4.5216	2.4467	3.4730	2.8399	4.5192
O5	2.2929	3.4292	1.2053	4.5216		3.4730	2.4467	4.5192	2.8399
C6	2.3412	1.4930	2.3004	2.4467	3.4730		1.3436	1.0862	2.2027
C7	2.3412	2.3004	1.4930	3.4730	2.4467	1.3436		2.2027	1.0862
H8	3.3675	2.2642	3.3699	2.8399	4.5192	1.0862	2.2027		2.7331
H9	3.3675	3.3699	2.2642	4.5192	2.8399	2.2027	1.0862	2.7331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	123.326	O1	C2	C6	107.003
O1	C3	O5	123.326	O1	C3	C7	107.003
C2	O1	C3	109.743	C2	C6	C7	108.126
C2	C6	H8	121.888	C3	C7	C6	108.126
C3	C7	H9	121.888	O4	C2	C6	129.671
O5	C3	C7	129.671	C6	C7	H9	129.986
C7	C6	H8	129.986

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

using model chemistry: B97D3/6-31G*

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	-0.445
2	C	0.597
3	C	0.597
4	O	-0.402
5	O	-0.402
6	C	-0.166
7	C	-0.166
8	H	0.194
9	H	0.194

<r²>	172.794
(<r²>)^1/2	13.145

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

using model chemistry: B97D3/6-31G*

States and conformations

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