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	hartrees
Energy at 0K	-378.485483
Energy at 298.15K	-378.489568
HF Energy	-378.485483
Nuclear repulsion energy	233.948122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3573	3449	0.00
2	A_g	1806	1743	0.00
3	A_g	1428	1379	0.00
4	A_g	1212	1170	0.00
5	A_g	817	789	0.00
6	A_g	559	539	0.00
7	A_g	393	379	0.00
8	A_u	734	709	170.74
9	A_u	455	439	45.84
10	A_u	129	124	6.16
11	B_g	829	800	0.00
12	B_g	731	706	0.00
13	B_u	3576	3452	237.22
14	B_u	1835	1772	461.60
15	B_u	1328	1282	778.82
16	B_u	1195	1154	17.86
17	B_u	661	638	21.55
18	B_u	247	238	55.35

Atom	x (Å)	y (Å)
C1	-0.055	0.767
C2	0.055	-0.767
O3	1.126	1.372
O4	-1.126	-1.372
O5	-1.126	1.322
O6	1.126	-1.322
H7	1.799	0.660
H8	-1.799	-0.660

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5389	1.3265	2.3927	1.2064	2.4003	1.8566	2.2538
C2	1.5389		2.3927	1.3265	2.4003	1.2064	2.2538	1.8566
O3	1.3265	2.3927		3.5498	2.2525	2.6944	0.9794	3.5615
O4	2.3927	1.3265	3.5498		2.6944	2.2525	3.5615	0.9794
O5	1.2064	2.4003	2.2525	2.6944		3.4736	2.9988	2.0936
O6	2.4003	1.2064	2.6944	2.2525	3.4736		2.0936	2.9988
H7	1.8566	2.2538	0.9794	3.5615	2.9988	2.0936		3.8322
H8	2.2538	1.8566	3.5615	0.9794	2.0936	2.9988	3.8322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.028	C1	C2	O6	121.468
C1	O3	H7	106.275	C2	C1	O3	113.028
C2	C1	O5	121.468	C2	O4	H8	106.275
O3	C1	O5	125.504	O4	C2	O6	125.504

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

using model chemistry: TPSSh/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	0.656
2	C	0.656
3	O	-0.306
4	O	-0.306
5	O	-0.578
6	O	-0.578
7	H	0.229
8	H	0.229

	x	y	z
x	7.540	-0.234	0.000
y	-0.234	6.346	0.000
z	0.000	0.000	3.884

<r²>	134.895
(<r²>)^1/2	11.614

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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