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	hartrees
Energy at 0K	-377.742264
Energy at 298.15K	-377.746223
HF Energy	-377.502843
Nuclear repulsion energy	229.630122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3548	3548	0.00
2	A_g	1728	1728	0.00
3	A_g	1365	1365	0.00
4	A_g	1209	1209	0.00
5	A_g	797	797	0.00
6	A_g	553	553	0.00
7	A_g	411	411	0.00
8	A_u	673	673	336.35
9	A_u	436	436	66.82
10	A_u	127	127	6.35
11	B_g	747	747	0.00
12	B_g	656	656	0.00
13	B_u	3548	3548	195.17
14	B_u	1753	1753	254.89
15	B_u	1260	1260	804.16
16	B_u	1177	1177	41.83
17	B_u	649	649	19.65
18	B_u	266	266	57.75

Atom	x (Å)	y (Å)
C1	-0.051	0.764
C2	0.051	-0.764
O3	1.147	1.397
O4	-1.147	-1.397
O5	-1.147	1.339
O6	1.147	-1.339
H7	1.891	0.750
H8	-1.891	-0.750

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5307	1.3556	2.4228	1.2381	2.4204	1.9421	2.3822
C2	1.5307		2.4228	1.3556	2.4204	1.2381	2.3822	1.9421
O3	1.3556	2.4228		3.6155	2.2954	2.7362	0.9858	3.7202
O4	2.4228	1.3556	3.6155		2.7362	2.2954	3.7202	0.9858
O5	1.2381	2.4204	2.2954	2.7362		3.5269	3.0949	2.2174
O6	2.4204	1.2381	2.7362	2.2954	3.5269		2.2174	3.0949
H7	1.9421	2.3822	0.9858	3.7202	3.0949	2.2174		4.0683
H8	2.3822	1.9421	3.7202	0.9858	2.2174	3.0949	4.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	114.022	C1	C2	O6	121.538
C1	O3	H7	111.109	C2	C1	O3	114.022
C2	C1	O5	121.538	C2	O4	H8	111.109
O3	C1	O5	124.440	O4	C2	O6	124.440

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

using model chemistry: B2PLYP/6-31G

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	0.517
2	C	0.517
3	O	-0.550
4	O	-0.550
5	O	-0.393
6	O	-0.393
7	H	0.426
8	H	0.426

	x	y	z
x	6.762	-0.387	0.000
y	-0.387	4.384	0.000
z	0.000	0.000	1.907

<r²>	139.746
(<r²>)^1/2	11.821

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

using model chemistry: B2PLYP/6-31G

States and conformations

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