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	hartrees
Energy at 0K	-378.121212
Energy at 298.15K	-378.125375
HF Energy	-378.121212
Nuclear repulsion energy	235.210752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3660	3520	0.00
2	A_g	1861	1790	0.00
3	A_g	1466	1410	0.00
4	A_g	1235	1188	0.00
5	A_g	841	809	0.00
6	A_g	569	548	0.00
7	A_g	406	391	0.00
8	A_u	731	703	179.60
9	A_u	471	453	49.16
10	A_u	130	125	6.59
11	B_g	851	819	0.00
12	B_g	728	701	0.00
13	B_u	3664	3524	273.14
14	B_u	1885	1813	514.04
15	B_u	1351	1299	809.58
16	B_u	1228	1181	2.88
17	B_u	679	654	22.06
18	B_u	258	248	56.06

Atom	x (Å)	y (Å)
C1	-0.053	0.767
C2	0.053	-0.767
O3	1.119	1.366
O4	-1.119	-1.366
O5	-1.119	1.316
O6	1.119	-1.316
H7	1.794	0.664
H8	-1.794	-0.664

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5367	1.3159	2.3838	1.1992	2.3892	1.8496	2.2535
C2	1.5367		2.3838	1.3159	2.3892	1.1992	2.2535	1.8496
O3	1.3159	2.3838		3.5309	2.2384	2.6813	0.9737	3.5502
O4	2.3838	1.3159	3.5309		2.6813	2.2384	3.5502	0.9737
O5	1.1992	2.3892	2.2384	2.6813		3.4542	2.9849	2.0915
O6	2.3892	1.1992	2.6813	2.2384	3.4542		2.0915	2.9849
H7	1.8496	2.2535	0.9737	3.5502	2.9849	2.0915		3.8258
H8	2.2535	1.8496	3.5502	0.9737	2.0915	2.9849	3.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.144	C1	C2	O6	121.188
C1	O3	H7	106.812	C2	C1	O3	113.144
C2	C1	O5	121.188	C2	O4	H8	106.812
O3	C1	O5	125.668	O4	C2	O6	125.668

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	0.596
2	C	0.596
3	O	-0.290
4	O	-0.290
5	O	-0.539
6	O	-0.539
7	H	0.233
8	H	0.233

	x	y	z
x	7.303	-0.259	0.000
y	-0.259	6.119	0.000
z	0.000	0.000	3.818

<r²>	133.769
(<r²>)^1/2	11.566

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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