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	hartrees
Energy at 0K	-377.936593
Energy at 298.15K	-377.940602
HF Energy	-377.936593
Nuclear repulsion energy	232.226090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3387	3331	0.00
2	A_g	1788	1759	0.00
3	A_g	1435	1411	0.00
4	A_g	1200	1180	0.00
5	A_g	805	791	0.00
6	A_g	553	544	0.00
7	A_g	392	386	0.00
8	A_u	747	735	184.35
9	A_u	431	424	44.52
10	A_u	136	134	4.95
11	B_g	771	759	0.00
12	B_g	722	710	0.00
13	B_u	3392	3336	213.06
14	B_u	1823	1793	315.35
15	B_u	1335	1313	785.70
16	B_u	1194	1175	13.29
17	B_u	642	632	19.69
18	B_u	260	256	56.80

Atom	x (Å)	y (Å)
C1	-0.054	0.771
C2	0.054	-0.771
O3	1.140	1.371
O4	-1.140	-1.371
O5	-1.140	1.332
O6	1.140	-1.332
H7	1.796	0.622
H8	-1.796	-0.622

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5452	1.3355	2.4010	1.2226	2.4179	1.8557	2.2306
C2	1.5452		2.4010	1.3355	2.4179	1.2226	2.2306	1.8557
O3	1.3355	2.4010		3.5650	2.2795	2.7029	0.9960	3.5479
O4	2.4010	1.3355	3.5650		2.7029	2.2795	3.5479	0.9960
O5	1.2226	2.4179	2.2795	2.7029		3.5064	3.0205	2.0613
O6	2.4179	1.2226	2.7029	2.2795	3.5064		2.0613	3.0205
H7	1.8557	2.2306	0.9960	3.5479	3.0205	2.0613		3.8014
H8	2.2306	1.8557	3.5479	0.9960	2.0613	3.0205	3.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.716	C1	C2	O6	121.316
C1	O3	H7	104.547	C2	C1	O3	112.716
C2	C1	O5	121.316	C2	O4	H8	104.547
O3	C1	O5	125.968	O4	C2	O6	125.968

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

using model chemistry: PBEPBEultrafine/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	0.506
2	C	0.506
3	O	-0.511
4	O	-0.511
5	O	-0.426
6	O	-0.426
7	H	0.431
8	H	0.431

	x	y	z
x	6.589	-0.179	0.000
y	-0.179	4.961	0.000
z	0.000	0.000	2.374

<r²>	135.732
(<r²>)^1/2	11.650

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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