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	hartrees
Energy at 0K	-378.263402
Energy at 298.15K	-378.267320
HF Energy	-378.263402
Nuclear repulsion energy	232.434995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3538	3487	0.00
2	A_g	1771	1746	0.00
3	A_g	1374	1355	0.00
4	A_g	1169	1152	0.00
5	A_g	784	773	0.00
6	A_g	543	536	0.00
7	A_g	381	375	0.00
8	A_u	690	680	193.26
9	A_u	437	430	55.80
10	A_u	114	112	6.51
11	B_g	792	781	0.00
12	B_g	683	673	0.00
13	B_u	3540	3489	217.86
14	B_u	1799	1773	426.90
15	B_u	1288	1270	742.85
16	B_u	1155	1138	33.15
17	B_u	654	644	21.26
18	B_u	236	233	58.05

Atom	x (Å)	y (Å)
C1	-0.056	0.776
C2	0.056	-0.776
O3	1.129	1.389
O4	-1.129	-1.389
O5	-1.129	1.335
O6	1.129	-1.335
H7	1.810	0.683
H8	-1.810	-0.683

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5564	1.3341	2.4162	1.2095	2.4209	1.8682	2.2813
C2	1.5564		2.4162	1.3341	2.4209	1.2095	2.2813	1.8682
O3	1.3341	2.4162		3.5796	2.2585	2.7236	0.9806	3.5956
O4	2.4162	1.3341	3.5796		2.7236	2.2585	3.5956	0.9806
O5	1.2095	2.4209	2.2585	2.7236		3.4964	3.0101	2.1296
O6	2.4209	1.2095	2.7236	2.2585	3.4964		2.1296	3.0101
H7	1.8682	2.2813	0.9806	3.5956	3.0101	2.1296		3.8687
H8	2.2813	1.8682	3.5956	0.9806	2.1296	3.0101	3.8687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.204	C1	C2	O6	121.641
C1	O3	H7	106.629	C2	C1	O3	113.204
C2	C1	O5	121.641	C2	O4	H8	106.629
O3	C1	O5	125.156	O4	C2	O6	125.156

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

using model chemistry: B97D3/TZVP

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	0.186
2	C	0.186
3	O	-0.194
4	O	-0.194
5	O	-0.288
6	O	-0.288
7	H	0.297
8	H	0.297

	x	y	z
x	7.205	-0.264	0.000
y	-0.264	5.619	0.000
z	0.000	0.000	3.098

<r²>	136.808
(<r²>)^1/2	11.697

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

using model chemistry: B97D3/TZVP

States and conformations

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