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	hartrees
Energy at 0K	-378.348266
Energy at 298.15K	-378.352442
HF Energy	-378.348266
Nuclear repulsion energy	235.072810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3703	3536	0.00
2	A_g	1908	1822	0.00
3	A_g	1485	1418	0.00
4	A_g	1244	1188	0.00
5	A_g	850	812	0.00
6	A_g	573	547	0.00
7	A_g	421	402	0.00
8	A_u	689	658	200.54
9	A_u	478	457	56.83
10	A_u	126	121	6.96
11	B_g	855	816	0.00
12	B_g	686	656	0.00
13	B_u	3707	3541	313.00
14	B_u	1920	1834	547.39
15	B_u	1355	1294	865.70
16	B_u	1238	1182	3.39
17	B_u	689	658	23.99
18	B_u	276	264	53.59

Atom	x (Å)	y (Å)
C1	-0.053	0.769
C2	0.053	-0.769
O3	1.118	1.373
O4	-1.118	-1.373
O5	-1.118	1.313
O6	1.118	-1.313
H7	1.805	0.685
H8	-1.805	-0.685

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5411	1.3171	2.3916	1.1960	2.3885	1.8594	2.2764
C2	1.5411		2.3916	1.3171	2.3885	1.1960	2.2764	1.8594
O3	1.3171	2.3916		3.5403	2.2360	2.6861	0.9723	3.5740
O4	2.3916	1.3171	3.5403		2.6861	2.2360	3.5740	0.9723
O5	1.1960	2.3885	2.2360	2.6861		3.4490	2.9891	2.1130
O6	2.3885	1.1960	2.6861	2.2360	3.4490		2.1130	2.9891
H7	1.8594	2.2764	0.9723	3.5740	2.9891	2.1130		3.8605
H8	2.2764	1.8594	3.5740	0.9723	2.1130	2.9891	3.8605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.367	C1	C2	O6	121.017
C1	O3	H7	107.670	C2	C1	O3	113.367
C2	C1	O5	121.017	C2	O4	H8	107.670
O3	C1	O5	125.616	O4	C2	O6	125.616

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

using model chemistry: M06-2X/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	0.279
2	C	0.279
3	O	-0.247
4	O	-0.247
5	O	-0.315
6	O	-0.315
7	H	0.282
8	H	0.282

	x	y	z
x	6.565	-0.341	0.000
y	-0.341	5.218	0.000
z	0.000	0.000	3.081

<r²>	133.964
(<r²>)^1/2	11.574

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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