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	hartrees
Energy at 0K	-372.818100
Energy at 298.15K	-372.822182
HF Energy	-372.818100
Nuclear repulsion energy	232.371918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2843	2508	0.00
2	A_g	1888	1665	0.00
3	A_g	1725	1522	0.00
4	A_g	1241	1095	0.00
5	A_g	894	789	0.00
6	A_g	658	580	0.00
7	A_g	229	202	0.00
8	A_u	1177	1039	122.09
9	A_u	388	342	17.19
10	A_u	233	205	0.04
11	B_g	1193	1052	0.00
12	B_g	742	655	0.00
13	B_u	2934	2589	474.86
14	B_u	2042	1802	125.34
15	B_u	1694	1494	511.28
16	B_u	1288	1136	5.17
17	B_u	641	566	16.88
18	B_u	401	354	88.86

Atom	x (Å)	y (Å)
C1	-0.042	0.774
C2	0.042	-0.774
O3	1.222	1.264
O4	-1.222	-1.264
O5	-1.222	1.238
O6	1.222	-1.238
H7	1.679	0.278
H8	-1.679	-0.278

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5498	1.3559	2.3551	1.2682	2.3757	1.7904	1.9456
C2	1.5498		2.3551	1.3559	2.3757	1.2682	1.9456	1.7904
O3	1.3559	2.3551		3.5168	2.4445	2.5021	1.0865	3.2854
O4	2.3551	1.3559	3.5168		2.5021	2.4445	3.2854	1.0865
O5	1.2682	2.3757	2.4445	2.5021		3.4790	3.0553	1.5833
O6	2.3757	1.2682	2.5021	2.4445	3.4790		1.5833	3.0553
H7	1.7904	1.9456	1.0865	3.2854	3.0553	1.5833		3.4029
H8	1.9456	1.7904	3.2854	1.0865	1.5833	3.0553	3.4029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	108.108	C1	C2	O6	114.565
C1	O3	H7	93.631	C2	C1	O3	108.108
C2	C1	O5	114.565	C2	O4	H8	93.631
O3	C1	O5	137.327	O4	C2	O6	137.327

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

using model chemistry: PBE1PBE/STO-3G

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	0.183
2	C	0.183
3	O	-0.204
4	O	-0.204
5	O	-0.208
6	O	-0.208
7	H	0.228
8	H	0.228

	x	y	z
x	4.774	-0.233	0.000
y	-0.233	2.860	0.000
z	0.000	0.000	0.707

<r²>	130.511
(<r²>)^1/2	11.424

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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