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	hartrees
Energy at 0K	-378.135418
Energy at 298.15K	-378.139545
HF Energy	-377.784661
Nuclear repulsion energy	234.061214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3684	3684	0.00
2	A_g	1835	1835	0.00
3	A_g	1462	1462	0.00
4	A_g	1237	1237	0.00
5	A_g	832	832	0.00
6	A_g	570	570	0.00
7	A_g	411	411	0.00
8	A_u	705	705	201.10
9	A_u	462	462	55.66
10	A_u	129	129	5.31
11	B_g	823	823	0.00
12	B_g	698	698	0.00
13	B_u	3688	3688	263.76
14	B_u	1854	1854	406.27
15	B_u	1358	1358	804.14
16	B_u	1211	1211	26.55
17	B_u	676	676	23.60
18	B_u	268	268	54.65

Atom	x (Å)	y (Å)
C1	-0.054	0.769
C2	0.054	-0.769
O3	1.126	1.373
O4	-1.126	-1.373
O5	-1.126	1.321
O6	1.126	-1.321
H7	1.794	0.666
H8	-1.794	-0.666

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5417	1.3252	2.3954	1.2055	2.3994	1.8510	2.2559
C2	1.5417		2.3954	1.3252	2.3994	1.2055	2.2559	1.8510
O3	1.3252	2.3954		3.5512	2.2520	2.6937	0.9732	3.5616
O4	2.3954	1.3252	3.5512		2.6937	2.2520	3.5616	0.9732
O5	1.2055	2.3994	2.2520	2.6937		3.4704	2.9925	2.0961
O6	2.3994	1.2055	2.6937	2.2520	3.4704		2.0961	2.9925
H7	1.8510	2.2559	0.9732	3.5616	2.9925	2.0961		3.8280
H8	2.2559	1.8510	3.5616	0.9732	2.0961	2.9925	3.8280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.128	C1	C2	O6	121.223
C1	O3	H7	106.275	C2	C1	O3	113.128
C2	C1	O5	121.223	C2	O4	H8	106.275
O3	C1	O5	125.649	O4	C2	O6	125.649

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

using model chemistry: B2PLYP/6-311G**

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	0.314
2	C	0.314
3	O	-0.266
4	O	-0.266
5	O	-0.318
6	O	-0.318
7	H	0.270
8	H	0.270

	x	y	z
x	6.439	-0.297	0.000
y	-0.297	4.733	0.000
z	0.000	0.000	2.542

<r²>	134.835
(<r²>)^1/2	11.612

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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