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	hartrees
Energy at 0K	-377.936580
Energy at 298.15K	-377.940585
HF Energy	-377.936580
Nuclear repulsion energy	232.224869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3388	3340	0.00
2	A_g	1788	1762	0.00
3	A_g	1435	1415	0.00
4	A_g	1199	1182	0.00
5	A_g	804	793	0.00
6	A_g	553	545	0.00
7	A_g	392	386	0.00
8	A_u	746	735	184.30
9	A_u	431	425	44.34
10	A_u	136	134	4.96
11	B_g	771	760	0.00
12	B_g	721	711	0.00
13	B_u	3393	3344	213.50
14	B_u	1824	1797	315.41
15	B_u	1336	1316	785.82
16	B_u	1195	1178	13.06
17	B_u	642	633	19.69
18	B_u	259	255	56.95

Atom	x (Å)	y (Å)
C1	-0.054	0.771
C2	0.054	-0.771
O3	1.140	1.370
O4	-1.140	-1.370
O5	-1.140	1.333
O6	1.140	-1.333
H7	1.796	0.621
H8	-1.796	-0.621

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5456	1.3354	2.4010	1.2227	2.4184	1.8553	2.2297
C2	1.5456		2.4010	1.3354	2.4184	1.2227	2.2297	1.8553
O3	1.3354	2.4010		3.5647	2.2796	2.7029	0.9960	3.5469
O4	2.4010	1.3354	3.5647		2.7029	2.2796	3.5469	0.9960
O5	1.2227	2.4184	2.2796	2.7029		3.5069	3.0203	2.0606
O6	2.4184	1.2227	2.7029	2.2796	3.5069		2.0606	3.0203
H7	1.8553	2.2297	0.9960	3.5469	3.0203	2.0606		3.7998
H8	2.2297	1.8553	3.5469	0.9960	2.0606	3.0203	3.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.696	C1	C2	O6	121.324
C1	O3	H7	104.519	C2	C1	O3	112.696
C2	C1	O5	121.324	C2	O4	H8	104.519
O3	C1	O5	125.980	O4	C2	O6	125.980

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

using model chemistry: PBEPBE/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	0.506
2	C	0.506
3	O	-0.510
4	O	-0.510
5	O	-0.426
6	O	-0.426
7	H	0.431
8	H	0.431

	x	y	z
x	6.588	-0.180	0.000
y	-0.180	4.961	0.000
z	0.000	0.000	2.374

<r²>	135.734
(<r²>)^1/2	11.651

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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