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	hartrees
Energy at 0K	-378.272686
Energy at 298.15K	-378.276629
HF Energy	-378.272686
Nuclear repulsion energy	231.048101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3451	3424	0.00
2	A_g	1756	1743	0.00
3	A_g	1396	1385	0.00
4	A_g	1179	1170	0.00
5	A_g	785	779	0.00
6	A_g	544	540	0.00
7	A_g	387	384	0.00
8	A_u	715	709	177.64
9	A_u	428	424	45.92
10	A_u	130	129	5.17
11	B_g	756	750	0.00
12	B_g	695	689	0.00
13	B_u	3454	3427	186.73
14	B_u	1790	1776	306.94
15	B_u	1306	1296	763.12
16	B_u	1164	1155	29.59
17	B_u	639	634	19.18
18	B_u	254	252	54.40

Atom	x (Å)	y (Å)
C1	-0.055	0.775
C2	0.055	-0.775
O3	1.142	1.387
O4	-1.142	-1.387
O5	-1.142	1.340
O6	1.142	-1.340
H7	1.810	0.654
H8	-1.810	-0.654

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5543	1.3440	2.4195	1.2246	2.4300	1.8690	2.2630
C2	1.5543		2.4195	1.3440	2.4300	1.2246	2.2630	1.8690
O3	1.3440	2.4195		3.5924	2.2841	2.7263	0.9918	3.5883
O4	2.4195	1.3440	3.5924		2.7263	2.2841	3.5883	0.9918
O5	1.2246	2.4300	2.2841	2.7263		3.5205	3.0305	2.1023
O6	2.4300	1.2246	2.7263	2.2841	3.5205		2.1023	3.0305
H7	1.8690	2.2630	0.9918	3.5883	3.0305	2.1023		3.8488
H8	2.2630	1.8690	3.5883	0.9918	2.1023	3.0305	3.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.997	C1	C2	O6	121.512
C1	O3	H7	105.296	C2	C1	O3	112.997
C2	C1	O5	121.512	C2	O4	H8	105.296
O3	C1	O5	125.491	O4	C2	O6	125.491

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

using model chemistry: BLYP/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	0.521
2	C	0.521
3	O	-0.425
4	O	-0.425
5	O	-0.428
6	O	-0.428
7	H	0.332
8	H	0.332

	x	y	z
x	6.660	-0.190	0.000
y	-0.190	4.998	0.000
z	0.000	0.000	2.375

<r²>	137.186
(<r²>)^1/2	11.713

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

using model chemistry: BLYP/6-31G**

States and conformations

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