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	hartrees
Energy at 0K	-76.426869
Energy at 298.15K	-76.430825
HF Energy	-76.426869
Nuclear repulsion energy	124.773433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3644	3519	0.00
2	A_g	1834	1771	0.00
3	A_g	1445	1396	0.00
4	A_g	1211	1170	0.00
5	A_g	813	785	0.00
6	A_g	546	527	0.00
7	A_g	397	384	0.00
8	A_u	679	656	220.60
9	A_u	446	431	58.20
10	A_u	120	116	6.66
11	B_g	799	772	0.00
12	B_g	668	646	0.00
13	B_u	3646	3521	222.27
14	B_u	1848	1785	478.18
15	B_u	1334	1288	874.19
16	B_u	1188	1147	19.73
17	B_u	653	630	22.54
18	B_u	257	248	53.89

Atom	x (Å)	y (Å)
C1	-0.054	0.784
C2	0.054	-0.784
O3	1.139	1.397
O4	-1.139	-1.397
O5	-1.139	1.344
O6	1.139	-1.344
H7	1.823	0.688
H8	-1.823	-0.688

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5714	1.3409	2.4359	1.2212	2.4392	1.8789	2.3015
C2	1.5714		2.4359	1.3409	2.4392	1.2212	2.3015	1.8789
O3	1.3409	2.4359		3.6047	2.2783	2.7409	0.9848	3.6221
O4	2.4359	1.3409	3.6047		2.7409	2.2783	3.6221	0.9848
O5	1.2212	2.4392	2.2783	2.7409		3.5231	3.0333	2.1443
O6	2.4392	1.2212	2.7409	2.2783	3.5231		2.1443	3.0333
H7	1.8789	2.3015	0.9848	3.6221	3.0333	2.1443		3.8968
H8	2.3015	1.8789	3.6221	0.9848	2.1443	3.0333	3.8968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.289	C1	C2	O6	121.217
C1	O3	H7	106.776	C2	C1	O3	113.289
C2	C1	O5	121.217	C2	O4	H8	106.776
O3	C1	O5	125.494	O4	C2	O6	125.494

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

using model chemistry: B3LYP/CEP-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	-0.062
2	C	-0.062
3	O	-0.260
4	O	-0.260
5	O	-0.105
6	O	-0.105
7	H	0.427
8	H	0.427

	x	y	z
x	6.599	-0.348	0.000
y	-0.348	5.098	0.000
z	0.000	0.000	2.771

<r²>	110.613
(<r²>)^1/2	10.517

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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