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	hartrees
Energy at 0K	-378.031747
Energy at 298.15K	-378.035896
HF Energy	-378.031747
Nuclear repulsion energy	234.538446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3654	3516	0.00
2	A_g	1857	1787	0.00
3	A_g	1479	1423	0.00
4	A_g	1237	1190	0.00
5	A_g	843	811	0.00
6	A_g	568	546	0.00
7	A_g	404	388	0.00
8	A_u	728	701	177.05
9	A_u	469	451	50.26
10	A_u	131	126	6.45
11	B_g	845	813	0.00
12	B_g	725	698	0.00
13	B_u	3658	3520	268.79
14	B_u	1879	1808	499.02
15	B_u	1360	1308	798.58
16	B_u	1225	1179	2.89
17	B_u	671	646	21.46
18	B_u	255	246	56.61

Atom	x (Å)	y (Å)
C1	-0.051	0.766
C2	0.051	-0.766
O3	1.123	1.368
O4	-1.123	-1.368
O5	-1.123	1.318
O6	1.123	-1.318
H7	1.797	0.661
H8	-1.797	-0.661

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5349	1.3201	2.3881	1.2060	2.3921	1.8513	2.2549
C2	1.5349		2.3881	1.3201	2.3921	1.2060	2.2549	1.8513
O3	1.3201	2.3881		3.5406	2.2471	2.6865	0.9767	3.5564
O4	2.3881	1.3201	3.5406		2.6865	2.2471	3.5564	0.9767
O5	1.2060	2.3921	2.2471	2.6865		3.4637	2.9934	2.0910
O6	2.3921	1.2060	2.6865	2.2471	3.4637		2.0910	2.9934
H7	1.8513	2.2549	0.9767	3.5564	2.9934	2.0910		3.8299
H8	2.2549	1.8513	3.5564	0.9767	2.0910	2.9934	3.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.330	C1	C2	O6	121.092
C1	O3	H7	106.467	C2	C1	O3	113.330
C2	C1	O5	121.092	C2	O4	H8	106.467
O3	C1	O5	125.578	O4	C2	O6	125.578

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	0.740
2	C	0.740
3	O	-0.449
4	O	-0.449
5	O	-0.498
6	O	-0.498
7	H	0.207
8	H	0.207

	x	y	z
x	7.340	-0.280	0.000
y	-0.280	6.122	0.000
z	0.000	0.000	3.778

<r²>	134.399
(<r²>)^1/2	11.593

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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