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	hartrees
Energy at 0K	-378.106957
Energy at 298.15K	-378.111064
HF Energy	-378.106957
Nuclear repulsion energy	235.000327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3668	3522	0.00
2	A_g	1872	1797	0.00
3	A_g	1460	1402	0.00
4	A_g	1227	1178	0.00
5	A_g	838	804	0.00
6	A_g	569	546	0.00
7	A_g	404	388	0.00
8	A_u	712	684	217.80
9	A_u	461	443	60.01
10	A_u	124	119	6.57
11	B_g	833	799	0.00
12	B_g	707	679	0.00
13	B_u	3672	3526	282.09
14	B_u	1892	1816	517.93
15	B_u	1346	1292	818.12
16	B_u	1222	1174	4.49
17	B_u	681	654	22.64
18	B_u	255	244	59.93

Atom	x (Å)	y (Å)
C1	-0.052	0.769
C2	0.052	-0.769
O3	1.119	1.369
O4	-1.119	-1.369
O5	-1.119	1.316
O6	1.119	-1.316
H7	1.798	0.670
H8	-1.798	-0.670

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5413	1.3161	2.3892	1.1990	2.3914	1.8533	2.2629
C2	1.5413		2.3892	1.3161	2.3914	1.1990	2.2629	1.8533
O3	1.3161	2.3892		3.5363	2.2389	2.6849	0.9744	3.5596
O4	2.3892	1.3161	3.5363		2.6849	2.2389	3.5596	0.9744
O5	1.1990	2.3914	2.2389	2.6849		3.4550	2.9882	2.0992
O6	2.3914	1.1990	2.6849	2.2389	3.4550		2.0992	2.9882
H7	1.8533	2.2629	0.9744	3.5596	2.9882	2.0992		3.8386
H8	2.2629	1.8533	3.5596	0.9744	2.0992	2.9882	3.8386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.238	C1	C2	O6	121.035
C1	O3	H7	107.076	C2	C1	O3	113.238
C2	C1	O5	121.035	C2	O4	H8	107.076
O3	C1	O5	125.728	O4	C2	O6	125.728

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

using model chemistry: HSEh1PBE/TZVP

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	0.211
2	C	0.211
3	O	-0.209
4	O	-0.209
5	O	-0.310
6	O	-0.310
7	H	0.308
8	H	0.308

	x	y	z
x	6.850	-0.345	0.000
y	-0.345	5.210	0.000
z	0.000	0.000	3.009

<r²>	134.230
(<r²>)^1/2	11.586

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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