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	hartrees
Energy at 0K	-378.243761
Energy at 298.15K	-378.247937
HF Energy	-378.243761
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3732	3732	0.00
2	A_g	1906	1906	0.00
3	A_g	1492	1492	0.00
4	A_g	1256	1256	0.00
5	A_g	846	846	0.00
6	A_g	575	575	0.00
7	A_g	415	415	0.00
8	A_u	730	730	180.67
9	A_u	470	470	51.04
10	A_u	129	129	6.04
11	B_g	848	848	0.00
12	B_g	726	726	0.00
13	B_u	3736	3736	260.03
14	B_u	1923	1923	441.94
15	B_u	1374	1374	827.77
16	B_u	1246	1246	4.46
17	B_u	682	682	21.96
18	B_u	271	271	55.84

Atom	x (Å)	y (Å)
C1	-0.053	0.769
C2	0.053	-0.769
O3	1.120	1.366
O4	-1.120	-1.366
O5	-1.120	1.317
O6	1.120	-1.317
H7	1.789	0.661
H8	-1.789	-0.661

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5413	1.3160	2.3865	1.1998	2.3931	1.8451	2.2494
C2	1.5413		2.3865	1.3160	2.3931	1.1998	2.2494	1.8451
O3	1.3160	2.3865		3.5326	2.2406	2.6829	0.9716	3.5457
O4	2.3865	1.3160	3.5326		2.6829	2.2406	3.5457	0.9716
O5	1.1998	2.3931	2.2406	2.6829		3.4580	2.9822	2.0885
O6	2.3931	1.1998	2.6829	2.2406	3.4580		2.0885	2.9822
H7	1.8451	2.2494	0.9716	3.5457	2.9822	2.0885		3.8148
H8	2.2494	1.8451	3.5457	0.9716	2.0885	2.9822	3.8148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.042	C1	C2	O6	121.125
C1	O3	H7	106.547	C2	C1	O3	113.042
C2	C1	O5	121.125	C2	O4	H8	106.547
O3	C1	O5	125.833	O4	C2	O6	125.833

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.370
2	C	0.370
3	O	-0.367
4	O	-0.367
5	O	-0.355
6	O	-0.355
7	H	0.351
8	H	0.351

	x	y	z
x	6.317	-0.256	0.000
y	-0.256	4.995	0.000
z	0.000	0.000	2.900

<r²>	133.252
(<r²>)^1/2	11.543

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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