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	hartrees
Energy at 0K	-378.395842
Energy at 298.15K	-378.399926
HF Energy	-378.395842
Nuclear repulsion energy	233.201443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3629	3522	0.00
2	A_g	1818	1764	0.00
3	A_g	1439	1396	0.00
4	A_g	1219	1183	0.00
5	A_g	822	798	0.00
6	A_g	558	542	0.00
7	A_g	400	388	0.00
8	A_u	707	686	177.59
9	A_u	463	450	53.76
10	A_u	125	121	6.58
11	B_g	833	808	0.00
12	B_g	703	682	0.00
13	B_u	3632	3525	248.43
14	B_u	1840	1785	477.51
15	B_u	1335	1295	787.47
16	B_u	1197	1162	16.31
17	B_u	665	645	20.90
18	B_u	253	246	53.15

Atom	x (Å)	y (Å)
C1	-0.053	0.770
C2	0.053	-0.770
O3	1.126	1.384
O4	-1.126	-1.384
O5	-1.126	1.327
O6	1.126	-1.327
H7	1.815	0.690
H8	-1.815	-0.690

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5437	1.3288	2.4066	1.2090	2.4054	1.8695	2.2889
C2	1.5437		2.4066	1.3288	2.4054	1.2090	2.2889	1.8695
O3	1.3288	2.4066		3.5682	2.2523	2.7110	0.9779	3.5989
O4	2.4066	1.3288	3.5682		2.7110	2.2523	3.5989	0.9779
O5	1.2090	2.4054	2.2523	2.7110		3.4803	3.0090	2.1318
O6	2.4054	1.2090	2.7110	2.2523	3.4803		2.1318	3.0090
H7	1.8695	2.2889	0.9779	3.5989	3.0090	2.1318		3.8840
H8	2.2889	1.8695	3.5989	0.9779	2.1318	3.0090	3.8840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.609	C1	C2	O6	121.337
C1	O3	H7	107.299	C2	C1	O3	113.609
C2	C1	O5	121.337	C2	O4	H8	107.299
O3	C1	O5	125.054	O4	C2	O6	125.054

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

using model chemistry: B3LYPultrafine/aug-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	0.672
2	C	0.672
3	O	-0.388
4	O	-0.388
5	O	-0.457
6	O	-0.457
7	H	0.173
8	H	0.173

	x	y	z
x	7.493	-0.275	0.000
y	-0.275	6.264	0.000
z	0.000	0.000	3.837

<r²>	136.116
(<r²>)^1/2	11.667

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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