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	hartrees
Energy at 0K	-379.024673
Energy at 298.15K	-379.027954
HF Energy	-379.024673
Nuclear repulsion energy	272.552042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3342	3187	1.11
2	A₁	1883	1796	44.38
3	A₁	1684	1606	4.04
4	A₁	1250	1192	111.15
5	A₁	1100	1049	43.87
6	A₁	878	837	12.33
7	A₁	634	605	0.72
8	A₁	395	377	11.04
9	A₂	1015	968	0.00
10	A₂	741	707	0.00
11	A₂	279	266	0.00
12	B₁	869	828	92.88
13	B₁	636	607	1.26
14	B₁	171	163	1.98
15	B₂	3319	3165	2.12
16	B₂	1816	1732	507.95
17	B₂	1364	1301	2.70
18	B₂	1073	1023	45.65
19	B₂	888	847	118.81
20	B₂	715	682	40.52
21	B₂	558	532	4.99

Atom	y (Å)	z (Å)
O1	0.000	0.980
C2	1.146	0.152
C3	-1.146	0.152
O4	2.274	0.596
O5	-2.274	0.596
C6	0.669	-1.252
C7	-0.669	-1.252
H8	1.348	-2.087
H9	-1.348	-2.087

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4141	1.4141	2.3060	2.3060	2.3299	2.3299	3.3508	3.3508
C2	1.4141		2.2917	1.2122	3.4483	1.4821	2.2939	2.2481	3.3516
C3	1.4141	2.2917		3.4483	1.2122	2.2939	1.4821	3.3516	2.2481
O4	2.3060	1.2122	3.4483		4.5475	2.4471	3.4743	2.8382	4.5075
O5	2.3060	3.4483	1.2122	4.5475		3.4743	2.4471	4.5075	2.8382
C6	2.3299	1.4821	2.2939	2.4471	3.4743		1.3376	1.0771	2.1834
C7	2.3299	2.2939	1.4821	3.4743	2.4471	1.3376		2.1834	1.0771
H8	3.3508	2.2481	3.3516	2.8382	4.5075	1.0771	2.1834		2.6966
H9	3.3508	3.3516	2.2481	4.5075	2.8382	2.1834	1.0771	2.6966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.635	O1	C2	C6	107.097
O1	C3	O5	122.635	O1	C3	C7	107.097
C2	O1	C3	108.254	C2	C6	C7	108.777
C2	C6	H8	122.109	C3	C7	C6	108.777
C3	C7	H9	122.109	O4	C2	C6	130.269
O5	C3	C7	130.269	C6	C7	H9	129.114
C7	C6	H8	129.114

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

using model chemistry: B1B95/6-31G

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	-0.491
2	C	0.507
3	C	0.507
4	O	-0.350
5	O	-0.350
6	C	-0.144
7	C	-0.144
8	H	0.232
9	H	0.232

<r²>	174.136
(<r²>)^1/2	13.196

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

using model chemistry: B1B95/6-31G

States and conformations

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