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	hartrees
Energy at 0K	-375.835577
Energy at 298.15K	-375.839665
HF Energy	-375.835577
Nuclear repulsion energy	230.118754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3094	3066	0.00
2	A_g	1700	1685	0.00
3	A_g	1363	1351	0.00
4	A_g	1152	1141	0.00
5	A_g	756	749	0.00
6	A_g	562	557	0.00
7	A_g	377	374	0.00
8	A_u	778	771	235.23
9	A_u	456	452	29.24
10	A_u	175	173	2.39
11	B_g	805	798	0.00
12	B_g	773	766	0.00
13	B_u	3099	3071	163.90
14	B_u	1772	1756	157.83
15	B_u	1278	1266	741.86
16	B_u	1155	1144	41.66
17	B_u	627	622	18.69
18	B_u	242	239	74.50

Atom	x (Å)	y (Å)
C1	-0.057	0.766
C2	0.057	-0.766
O3	1.164	1.359
O4	-1.164	-1.359
O5	-1.164	1.330
O6	1.164	-1.330
H7	1.825	0.574
H8	-1.825	-0.574

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5365	1.3579	2.3963	1.2417	2.4256	1.8927	2.2184
C2	1.5365		2.3963	1.3579	2.4256	1.2417	2.2184	1.8927
O3	1.3579	2.3963		3.5793	2.3282	2.6889	1.0270	3.5601
O4	2.3963	1.3579	3.5793		2.6889	2.3282	3.5601	1.0270
O5	1.2417	2.4256	2.3282	2.6889		3.5341	3.0835	2.0149
O6	2.4256	1.2417	2.6889	2.3282	3.5341		2.0149	3.0835
H7	1.8927	2.2184	1.0270	3.5601	3.0835	2.0149		3.8270
H8	2.2184	1.8927	3.5601	1.0270	2.0149	3.0835	3.8270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	111.622	C1	C2	O6	121.269
C1	O3	H7	104.188	C2	C1	O3	111.622
C2	C1	O5	121.269	C2	O4	H8	104.188
O3	C1	O5	127.110	O4	C2	O6	127.110

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

using model chemistry: PBEPBE/3-21G

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	0.559
2	C	0.559
3	O	-0.501
4	O	-0.501
5	O	-0.436
6	O	-0.436
7	H	0.377
8	H	0.377

	x	y	z
x	6.310	-0.184	0.000
y	-0.184	4.308	0.000
z	0.000	0.000	1.591

<r²>	137.278
(<r²>)^1/2	11.717

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

using model chemistry: PBEPBE/3-21G

States and conformations

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