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	hartrees
Energy at 0K	-375.789191
Energy at 298.15K	-375.793334
HF Energy	-375.554446
Nuclear repulsion energy	230.827811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3380	3380	0.00
2	A_g	1750	1750	0.00
3	A_g	1385	1385	0.00
4	A_g	1202	1202	0.00
5	A_g	774	774	0.00
6	A_g	571	571	0.00
7	A_g	406	406	0.00
8	A_u	734	734	292.02
9	A_u	473	473	40.29
10	A_u	168	168	2.96
11	B_g	821	821	0.00
12	B_g	731	731	0.00
13	B_u	3382	3382	175.11
14	B_u	1797	1797	176.51
15	B_u	1299	1299	795.92
16	B_u	1184	1184	58.48
17	B_u	655	655	20.70
18	B_u	259	259	65.59

Atom	x (Å)	y (Å)
C1	-0.057	0.764
C2	0.057	-0.764
O3	1.153	1.369
O4	-1.153	-1.369
O5	-1.153	1.328
O6	1.153	-1.328
H7	1.849	0.646
H8	-1.849	-0.646

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5324	1.3525	2.3982	1.2324	2.4164	1.9093	2.2803
C2	1.5324		2.3982	1.3525	2.4164	1.2324	2.2803	1.9093
O3	1.3525	2.3982		3.5794	2.3060	2.6966	1.0034	3.6153
O4	2.3982	1.3525	3.5794		2.6966	2.3060	3.6153	1.0034
O5	1.2324	2.4164	2.3060	2.6966		3.5166	3.0780	2.0929
O6	2.4164	1.2324	2.6966	2.3060	3.5166		2.0929	3.0780
H7	1.9093	2.2803	1.0034	3.6153	3.0780	2.0929		3.9169
H8	2.2803	1.9093	3.6153	1.0034	2.0929	3.0780	3.9169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.309	C1	C2	O6	121.468
C1	O3	H7	107.348	C2	C1	O3	112.309
C2	C1	O5	121.468	C2	O4	H8	107.348
O3	C1	O5	126.222	O4	C2	O6	126.222

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

using model chemistry: B2PLYP/3-21G*

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	0.625
2	C	0.625
3	O	-0.558
4	O	-0.558
5	O	-0.463
6	O	-0.463
7	H	0.396
8	H	0.396

	x	y	z
x	6.134	-0.335	0.000
y	-0.335	3.924	0.000
z	0.000	0.000	1.522

<r²>	137.279
(<r²>)^1/2	11.717

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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