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	hartrees
Energy at 0K	-76.293438
Energy at 298.15K	-76.297268
HF Energy	-76.293438
Nuclear repulsion energy	122.969908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3559	3468	0.00
2	A_g	1703	1660	0.00
3	A_g	1314	1280	0.00
4	A_g	1166	1136	0.00
5	A_g	769	750	0.00
6	A_g	536	522	0.00
7	A_g	385	375	0.00
8	A_u	647	631	328.74
9	A_u	427	416	74.59
10	A_u	112	109	6.73
11	B_g	757	737	0.00
12	B_g	632	616	0.00
13	B_u	3557	3467	171.76
14	B_u	1720	1677	362.55
15	B_u	1205	1174	762.73
16	B_u	1136	1107	94.60
17	B_u	624	608	22.88
18	B_u	240	234	58.67

Atom	x (Å)	y (Å)
C1	-0.053	0.778
C2	0.053	-0.778
O3	1.156	1.418
O4	-1.156	-1.418
O5	-1.156	1.351
O6	1.156	-1.351
H7	1.905	0.774
H8	-1.905	-0.774

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5600	1.3676	2.4573	1.2426	2.4483	1.9582	2.4164
C2	1.5600		2.4573	1.3676	2.4483	1.2426	2.4164	1.9582
O3	1.3676	2.4573		3.6583	2.3125	2.7687	0.9880	3.7646
O4	2.4573	1.3676	3.6583		2.7687	2.3125	3.7646	0.9880
O5	1.2426	2.4483	2.3125	2.7687		3.5557	3.1148	2.2530
O6	2.4483	1.2426	2.7687	2.3125	3.5557		2.2530	3.1148
H7	1.9582	2.4164	0.9880	3.7646	3.1148	2.2530		4.1126
H8	2.4164	1.9582	3.7646	0.9880	2.2530	3.1148	4.1126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.982	C1	C2	O6	121.347
C1	O3	H7	111.445	C2	C1	O3	113.982
C2	C1	O5	121.347	C2	O4	H8	111.445
O3	C1	O5	124.671	O4	C2	O6	124.671

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

using model chemistry: B3LYP/CEP-121G

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	0.031
2	C	0.031
3	O	-0.303
4	O	-0.303
5	O	-0.130
6	O	-0.130
7	H	0.403
8	H	0.403

	x	y	z
x	7.173	-0.436	0.000
y	-0.436	4.971	0.000
z	0.000	0.000	2.592

<r²>	114.126
(<r²>)^1/2	10.683

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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