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	hartrees
Energy at 0K	-378.027469
Energy at 298.15K	-378.031506
HF Energy	-377.697166
Nuclear repulsion energy	232.913800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3683	3508	0.00
2	A_g	1821	1734	0.00
3	A_g	1449	1380	0.00
4	A_g	1224	1166	0.00
5	A_g	826	787	0.00
6	A_g	560	533	0.00
7	A_g	409	390	0.00
8	A_u	690	657	217.59
9	A_u	458	436	66.19
10	A_u	119	113	6.85
11	B_g	792	754	0.00
12	B_g	676	644	0.00
13	B_u	3686	3511	270.49
14	B_u	1840	1753	459.50
15	B_u	1332	1269	820.46
16	B_u	1208	1150	9.28
17	B_u	663	631	22.07
18	B_u	264	252	53.33

Atom	x (Å)	y (Å)
C1	-0.051	0.769
C2	0.051	-0.769
O3	1.129	1.382
O4	-1.129	-1.382
O5	-1.129	1.328
O6	1.129	-1.328
H7	1.821	0.694
H8	-1.821	-0.694

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5418	1.3291	2.4064	1.2141	2.4062	1.8734	2.2965
C2	1.5418		2.4064	1.3291	2.4062	1.2141	2.2965	1.8734
O3	1.3291	2.4064		3.5690	2.2577	2.7105	0.9769	3.6069
O4	2.4064	1.3291	3.5690		2.7105	2.2577	3.6069	0.9769
O5	1.2141	2.4062	2.2577	2.7105		3.4857	3.0172	2.1371
O6	2.4062	1.2141	2.7105	2.2577	3.4857		2.1371	3.0172
H7	1.8734	2.2965	0.9769	3.6069	3.0172	2.1371		3.8975
H8	2.2965	1.8734	3.6069	0.9769	2.1371	3.0172	3.8975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.699	C1	C2	O6	121.185
C1	O3	H7	107.685	C2	C1	O3	113.699
C2	C1	O5	121.185	C2	O4	H8	107.685
O3	C1	O5	125.115	O4	C2	O6	125.115

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

using model chemistry: B2PLYP/6-31+G**

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	0.516
2	C	0.516
3	O	-0.426
4	O	-0.426
5	O	-0.472
6	O	-0.472
7	H	0.382
8	H	0.382

	x	y	z
x	7.341	-0.377	0.000
y	-0.377	5.731	0.000
z	0.000	0.000	3.357

<r²>	136.620
(<r²>)^1/2	11.688

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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