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	hartrees
Energy at 0K	-377.990753
Energy at 298.15K	-377.994846
HF Energy	-377.669045
Nuclear repulsion energy	233.345187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3599	3416	0.00
2	A_g	1847	1753	0.00
3	A_g	1488	1413	0.00
4	A_g	1249	1185	0.00
5	A_g	834	792	0.00
6	A_g	570	541	0.00
7	A_g	415	394	0.00
8	A_u	722	686	218.97
9	A_u	454	431	59.10
10	A_u	130	123	5.63
11	B_g	789	749	0.00
12	B_g	706	671	0.00
13	B_u	3602	3419	244.70
14	B_u	1868	1773	349.98
15	B_u	1372	1302	853.06
16	B_u	1229	1166	14.72
17	B_u	667	633	22.44
18	B_u	274	260	53.39

Atom	x (Å)	y (Å)
C1	-0.052	0.767
C2	0.052	-0.767
O3	1.130	1.372
O4	-1.130	-1.372
O5	-1.130	1.324
O6	1.130	-1.324
H7	1.807	0.661
H8	-1.807	-0.661

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5381	1.3283	2.3961	1.2138	2.4027	1.8621	2.2628
C2	1.5381		2.3961	1.3283	2.4027	1.2138	2.2628	1.8621
O3	1.3283	2.3961		3.5560	2.2614	2.6967	0.9818	3.5726
O4	2.3961	1.3283	3.5560		2.6967	2.2614	3.5726	0.9818
O5	1.2138	2.4027	2.2614	2.6967		3.4824	3.0114	2.0975
O6	2.4027	1.2138	2.6967	2.2614	3.4824		2.0975	3.0114
H7	1.8621	2.2628	0.9818	3.5726	3.0114	2.0975		3.8484
H8	2.2628	1.8621	3.5726	0.9818	2.0975	3.0114	3.8484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.222	C1	C2	O6	121.198
C1	O3	H7	106.466	C2	C1	O3	113.222
C2	C1	O5	121.198	C2	O4	H8	106.466
O3	C1	O5	125.580	O4	C2	O6	125.580

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	0.553
2	C	0.553
3	O	-0.564
4	O	-0.564
5	O	-0.446
6	O	-0.446
7	H	0.458
8	H	0.458

	x	y	z
x	6.351	-0.294	0.000
y	-0.294	4.604	0.000
z	0.000	0.000	2.318

<r²>	135.143
(<r²>)^1/2	11.625

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)