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	hartrees
Energy at 0K	-378.181795
Energy at 298.15K	-378.185738
HF Energy	-378.181795
Nuclear repulsion energy	230.131253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3467	3336	0.00
2	A_g	1740	1674	0.00
3	A_g	1355	1304	0.00
4	A_g	1193	1148	0.00
5	A_g	792	762	0.00
6	A_g	549	528	0.00
7	A_g	398	383	0.00
8	A_u	690	664	309.20
9	A_u	433	416	60.47
10	A_u	132	127	6.71
11	B_g	755	726	0.00
12	B_g	674	649	0.00
13	B_u	3467	3336	153.92
14	B_u	1771	1704	280.09
15	B_u	1251	1203	811.93
16	B_u	1176	1131	22.10
17	B_u	637	613	20.32
18	B_u	252	243	62.30

Atom	x (Å)	y (Å)
C1	-0.052	0.762
C2	0.052	-0.762
O3	1.147	1.390
O4	-1.147	-1.390
O5	-1.147	1.335
O6	1.147	-1.335
H7	1.877	0.718
H8	-1.877	-0.718

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5285	1.3533	2.4149	1.2360	2.4161	1.9298	2.3505
C2	1.5285		2.4149	1.3533	2.4161	1.2360	2.3505	1.9298
O3	1.3533	2.4149		3.6043	2.2953	2.7248	0.9920	3.6868
O4	2.4149	1.3533	3.6043		2.7248	2.2953	3.6868	0.9920
O5	1.2360	2.4161	2.2953	2.7248		3.5206	3.0870	2.1791
O6	2.4161	1.2360	2.7248	2.2953	3.5206		2.1791	3.0870
H7	1.9298	2.3505	0.9920	3.6868	3.0870	2.1791		4.0202
H8	2.3505	1.9298	3.6868	0.9920	2.1791	3.0870	4.0202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.718	C1	C2	O6	121.488
C1	O3	H7	109.779	C2	C1	O3	113.718
C2	C1	O5	121.488	C2	O4	H8	109.779
O3	C1	O5	124.793	O4	C2	O6	124.793

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

using model chemistry: TPSSh/6-31G

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	0.508
2	C	0.508
3	O	-0.530
4	O	-0.530
5	O	-0.400
6	O	-0.400
7	H	0.423
8	H	0.423

	x	y	z
x	6.789	-0.350	0.000
y	-0.350	4.537	0.000
z	0.000	0.000	1.952

<r²>	138.788
(<r²>)^1/2	11.781

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

using model chemistry: TPSSh/6-31G

States and conformations

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