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	hartrees
Energy at 0K	-378.300435
Energy at 298.15K	-378.304431
HF Energy	-378.300435
Nuclear repulsion energy	231.225323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3388	3393	0.00
2	A_g	1748	1751	0.00
3	A_g	1398	1400	0.00
4	A_g	1177	1179	0.00
5	A_g	787	788	0.00
6	A_g	546	547	0.00
7	A_g	381	382	0.00
8	A_u	722	723	155.95
9	A_u	439	440	35.95
10	A_u	136	136	4.88
11	B_g	793	795	0.00
12	B_g	720	721	0.00
13	B_u	3392	3397	215.30
14	B_u	1777	1780	326.86
15	B_u	1311	1313	721.15
16	B_u	1157	1159	27.76
17	B_u	639	641	18.46
18	B_u	244	244	55.71

Atom	x (Å)	y (Å)
C1	-0.056	0.774
C2	0.056	-0.774
O3	1.141	1.385
O4	-1.141	-1.385
O5	-1.141	1.339
O6	1.141	-1.339
H7	1.801	0.639
H8	-1.801	-0.639

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5519	1.3444	2.4161	1.2235	2.4289	1.8624	2.2456
C2	1.5519		2.4161	1.3444	2.4289	1.2235	2.2456	1.8624
O3	1.3444	2.4161		3.5891	2.2830	2.7242	0.9957	3.5716
O4	2.4161	1.3444	3.5891		2.7242	2.2830	3.5716	0.9957
O5	1.2235	2.4289	2.2830	2.7242		3.5193	3.0247	2.0858
O6	2.4289	1.2235	2.7242	2.2830	3.5193		2.0858	3.0247
H7	1.8624	2.2456	0.9957	3.5716	3.0247	2.0858		3.8228
H8	2.2456	1.8624	3.5716	0.9957	2.0858	3.0247	3.8228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.874	C1	C2	O6	121.679
C1	O3	H7	104.489	C2	C1	O3	112.874
C2	C1	O5	121.679	C2	O4	H8	104.489
O3	C1	O5	125.447	O4	C2	O6	125.447

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

using model chemistry: BLYP/cc-pVDZ

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	0.110
2	C	0.110
3	O	-0.081
4	O	-0.081
5	O	-0.187
6	O	-0.187
7	H	0.157
8	H	0.157

	x	y	z
x	6.607	-0.143	0.000
y	-0.143	5.012	0.000
z	0.000	0.000	2.391

<r²>	136.904
(<r²>)^1/2	11.701

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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