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	hartrees
Energy at 0K	-378.202550
Energy at 298.15K	-378.206617
HF Energy	-378.202550
Nuclear repulsion energy	233.793801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3668	3521	0.00
2	A_g	1857	1783	0.00
3	A_g	1457	1399	0.00
4	A_g	1220	1171	0.00
5	A_g	832	799	0.00
6	A_g	562	539	0.00
7	A_g	403	387	0.00
8	A_u	708	680	215.19
9	A_u	462	443	61.66
10	A_u	125	120	7.11
11	B_g	809	777	0.00
12	B_g	699	671	0.00
13	B_u	3671	3525	271.72
14	B_u	1878	1803	508.87
15	B_u	1337	1284	831.66
16	B_u	1218	1170	5.55
17	B_u	667	641	22.08
18	B_u	257	247	57.89

Atom	x (Å)	y (Å)
C1	-0.050	0.770
C2	0.050	-0.770
O3	1.125	1.375
O4	-1.125	-1.375
O5	-1.125	1.324
O6	1.125	-1.324
H7	1.811	0.678
H8	-1.811	-0.678

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5425	1.3220	2.3983	1.2090	2.4008	1.8639	2.2797
C2	1.5425		2.3983	1.3220	2.4008	1.2090	2.2797	1.8639
O3	1.3220	2.3983		3.5524	2.2505	2.6983	0.9774	3.5827
O4	2.3983	1.3220	3.5524		2.6983	2.2505	3.5827	0.9774
O5	1.2090	2.4008	2.2505	2.6983		3.4744	3.0062	2.1165
O6	2.4008	1.2090	2.6983	2.2505	3.4744		2.1165	3.0062
H7	1.8639	2.2797	0.9774	3.5827	3.0062	2.1165		3.8681
H8	2.2797	1.8639	3.5827	0.9774	2.1165	3.0062	3.8681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.480	C1	C2	O6	121.034
C1	O3	H7	107.358	C2	C1	O3	113.480
C2	C1	O5	121.034	C2	O4	H8	107.358
O3	C1	O5	125.486	O4	C2	O6	125.486

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)

using model chemistry: B3PW91/6-31+G**

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	C	0.482
2	C	0.482
3	O	-0.398
4	O	-0.398
5	O	-0.465
6	O	-0.465
7	H	0.381
8	H	0.381

	x	y	z
x	7.189	-0.356	0.000
y	-0.356	5.665	0.000
z	0.000	0.000	3.289

<r²>	135.386
(<r²>)^1/2	11.636

All results from a given calculation for C2H2O4 (Oxalic Acid)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)