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	hartrees
Energy at 0K	-379.004692
Energy at 298.15K	-379.007941
HF Energy	-379.004692
Nuclear repulsion energy	271.547244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3181	0.72
2	A₁	1859	1780	42.36
3	A₁	1663	1593	4.06
4	A₁	1237	1185	103.33
5	A₁	1095	1049	47.66
6	A₁	868	831	12.05
7	A₁	631	605	0.93
8	A₁	391	374	10.24
9	A₂	1007	965	0.00
10	A₂	739	708	0.00
11	A₂	279	267	0.00
12	B₁	864	827	92.04
13	B₁	633	606	0.92
14	B₁	171	164	1.99
15	B₂	3299	3159	1.49
16	B₂	1791	1716	487.36
17	B₂	1357	1299	3.46
18	B₂	1063	1018	36.78
19	B₂	862	825	112.22
20	B₂	709	679	49.55
21	B₂	552	529	5.44

Atom	y (Å)	z (Å)
O1	0.000	0.986
C2	1.151	0.151
C3	-1.151	0.151
O4	2.283	0.596
O5	-2.283	0.596
C6	0.671	-1.255
C7	-0.671	-1.255
H8	1.351	-2.093
H9	-1.351	-2.093

	O1	C2	C3	O4	O5	C6	C7	H8	H9
O1		1.4218	1.4218	2.3157	2.3157	2.3394	2.3394	3.3629	3.3629
C2	1.4218		2.3016	1.2162	3.4622	1.4858	2.3014	2.2535	3.3613
C3	1.4218	2.3016		3.4622	1.2162	2.3014	1.4858	3.3613	2.2535
O4	2.3157	1.2162	3.4622		4.5654	2.4545	3.4859	2.8463	4.5210
O5	2.3157	3.4622	1.2162	4.5654		3.4859	2.4545	4.5210	2.8463
C6	2.3394	1.4858	2.3014	2.4545	3.4859		1.3420	1.0796	2.1892
C7	2.3394	2.3014	1.4858	3.4859	2.4545	1.3420		2.1892	1.0796
H8	3.3629	2.2535	3.3613	2.8463	4.5210	1.0796	2.1892		2.7026
H9	3.3629	3.3613	2.2535	4.5210	2.8463	2.1892	1.0796	2.7026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	122.574	O1	C2	C6	107.121
O1	C3	O5	122.574	O1	C3	C7	107.121
C2	O1	C3	108.077	C2	C6	C7	108.840
C2	C6	H8	122.098	C3	C7	C6	108.840
C3	C7	H9	122.098	O4	C2	C6	130.304
O5	C3	C7	130.304	C6	C7	H9	129.061
C7	C6	H8	129.061

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

using model chemistry: B3PW91/6-31G

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	-0.484
2	C	0.510
3	C	0.510
4	O	-0.354
5	O	-0.354
6	C	-0.149
7	C	-0.149
8	H	0.236
9	H	0.236

<r²>	175.227
(<r²>)^1/2	13.237

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

using model chemistry: B3PW91/6-31G

States and conformations

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