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	hartrees
Energy at 0K	-378.058083
Energy at 298.15K	-378.062263
HF Energy	-378.058083
Nuclear repulsion energy	235.151947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3666	3518	0.00
2	A_g	1885	1808	0.00
3	A_g	1491	1431	0.00
4	A_g	1240	1190	0.00
5	A_g	847	813	0.00
6	A_g	575	552	0.00
7	A_g	416	400	0.00
8	A_u	735	705	238.67
9	A_u	468	449	60.16
10	A_u	133	127	6.16
11	B_g	838	804	0.00
12	B_g	727	697	0.00
13	B_u	3668	3520	209.52
14	B_u	1902	1825	474.58
15	B_u	1374	1319	897.31
16	B_u	1231	1181	9.65
17	B_u	683	656	24.85
18	B_u	274	263	57.62

Atom	x (Å)	y (Å)
C1	-0.053	0.767
C2	0.053	-0.767
O3	1.120	1.363
O4	-1.120	-1.363
O5	-1.120	1.315
O6	1.120	-1.315
H7	1.799	0.667
H8	-1.799	-0.667

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5383	1.3160	2.3832	1.1996	2.3898	1.8550	2.2601
C2	1.5383		2.3832	1.3160	2.3898	1.1996	2.2601	1.8550
O3	1.3160	2.3832		3.5294	2.2412	2.6782	0.9726	3.5565
O4	2.3832	1.3160	3.5294		2.6782	2.2412	3.5565	0.9726
O5	1.1996	2.3898	2.2412	2.6782		3.4546	2.9907	2.0950
O6	2.3898	1.1996	2.6782	2.2412	3.4546		2.0950	2.9907
H7	1.8550	2.2601	0.9726	3.5565	2.9907	2.0950		3.8382
H8	2.2601	1.8550	3.5565	0.9726	2.0950	2.9907	3.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.998	C1	C2	O6	121.089
C1	O3	H7	107.345	C2	C1	O3	112.998
C2	C1	O5	121.089	C2	O4	H8	107.345
O3	C1	O5	125.914	O4	C2	O6	125.914

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

using model chemistry: HSEh1PBE/6-311G*

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	0.359
2	C	0.359
3	O	-0.465
4	O	-0.465
5	O	-0.330
6	O	-0.330
7	H	0.436
8	H	0.436

	x	y	z
x	6.293	-0.298	0.000
y	-0.298	4.635	0.000
z	0.000	0.000	2.485

<r²>	133.694
(<r²>)^1/2	11.563

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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