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	hartrees
Energy at 0K	-378.262088
Energy at 298.15K	-378.266027
HF Energy	-378.262088
Nuclear repulsion energy	230.946491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3384	3356	0.00
2	A_g	1757	1742	0.00
3	A_g	1408	1397	0.00
4	A_g	1180	1170	0.00
5	A_g	784	777	0.00
6	A_g	544	540	0.00
7	A_g	388	385	0.00
8	A_u	721	716	182.21
9	A_u	428	424	47.41
10	A_u	130	129	5.10
11	B_g	759	753	0.00
12	B_g	698	692	0.00
13	B_u	3386	3359	178.58
14	B_u	1791	1777	300.87
15	B_u	1321	1310	762.72
16	B_u	1164	1155	37.78
17	B_u	638	633	19.43
18	B_u	257	254	53.26

Atom	x (Å)	y (Å)
C1	-0.056	0.781
C2	0.056	-0.781
O3	1.134	1.389
O4	-1.134	-1.389
O5	-1.134	1.350
O6	1.134	-1.350
H7	1.823	0.686
H8	-1.823	-0.686

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5669	1.3358	2.4235	1.2190	2.4413	1.8814	2.2970
C2	1.5669		2.4235	1.3358	2.4413	1.2190	2.2970	1.8814
O3	1.3358	2.4235		3.5861	2.2681	2.7394	0.9850	3.6122
O4	2.4235	1.3358	3.5861		2.7394	2.2681	3.6122	0.9850
O5	1.2190	2.4413	2.2681	2.7394		3.5265	3.0309	2.1494
O6	2.4413	1.2190	2.7394	2.2681	3.5265		2.1494	3.0309
H7	1.8814	2.2970	0.9850	3.6122	3.0309	2.1494		3.8957
H8	2.2970	1.8814	3.6122	0.9850	2.1494	3.0309	3.8957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.974	C1	C2	O6	121.901
C1	O3	H7	107.363	C2	C1	O3	112.974
C2	C1	O5	121.901	C2	O4	H8	107.363
O3	C1	O5	125.125	O4	C2	O6	125.125

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

using model chemistry: BLYP/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	0.515
2	C	0.515
3	O	-0.506
4	O	-0.506
5	O	-0.427
6	O	-0.427
7	H	0.417
8	H	0.417

	x	y	z
x	6.649	-0.185	0.000
y	-0.185	4.998	0.000
z	0.000	0.000	2.358

<r²>	137.301
(<r²>)^1/2	11.718

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

using model chemistry: BLYP/6-31G*

States and conformations

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