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	hartrees
Energy at 0K	-378.087326
Energy at 298.15K	-378.091487
HF Energy	-378.087326
Nuclear repulsion energy	235.225834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3666	3525	0.00
2	A_g	1864	1793	0.00
3	A_g	1468	1412	0.00
4	A_g	1236	1188	0.00
5	A_g	843	810	0.00
6	A_g	569	547	0.00
7	A_g	405	390	0.00
8	A_u	731	703	179.28
9	A_u	471	453	49.12
10	A_u	130	125	6.58
11	B_g	851	819	0.00
12	B_g	729	701	0.00
13	B_u	3670	3529	274.89
14	B_u	1888	1815	516.55
15	B_u	1352	1300	807.89
16	B_u	1230	1182	2.33
17	B_u	679	653	22.12
18	B_u	256	247	56.36

Atom	x (Å)	y (Å)
C1	-0.053	0.767
C2	0.053	-0.767
O3	1.119	1.365
O4	-1.119	-1.365
O5	-1.119	1.316
O6	1.119	-1.316
H7	1.793	0.662
H8	-1.793	-0.662

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5369	1.3156	2.3837	1.1994	2.3894	1.8482	2.2515
C2	1.5369		2.3837	1.3156	2.3894	1.1994	2.2515	1.8482
O3	1.3156	2.3837		3.5304	2.2383	2.6811	0.9737	3.5479
O4	2.3837	1.3156	3.5304		2.6811	2.2383	3.5479	0.9737
O5	1.1994	2.3894	2.2383	2.6811		3.4545	2.9840	2.0897
O6	2.3894	1.1994	2.6811	2.2383	3.4545		2.0897	2.9840
H7	1.8482	2.2515	0.9737	3.5479	2.9840	2.0897		3.8220
H8	2.2515	1.8482	3.5479	0.9737	2.0897	2.9840	3.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.138	C1	C2	O6	121.181
C1	O3	H7	106.714	C2	C1	O3	113.138
C2	C1	O5	121.181	C2	O4	H8	106.714
O3	C1	O5	125.682	O4	C2	O6	125.682

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	0.566
2	C	0.566
3	O	-0.277
4	O	-0.277
5	O	-0.525
6	O	-0.525
7	H	0.236
8	H	0.236

	x	y	z
x	7.295	-0.260	0.000
y	-0.260	6.118	0.000
z	0.000	0.000	3.817

<r²>	133.743
(<r²>)^1/2	11.565

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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