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	hartrees
Energy at 0K	-378.175179
Energy at 298.15K	-378.179281
HF Energy	-378.175179
Nuclear repulsion energy	234.112766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3591	3435	0.00
2	A_g	1877	1795	0.00
3	A_g	1490	1426	0.00
4	A_g	1243	1189	0.00
5	A_g	838	802	0.00
6	A_g	570	545	0.00
7	A_g	408	390	0.00
8	A_u	734	703	214.17
9	A_u	455	435	56.93
10	A_u	133	127	5.92
11	B_g	800	765	0.00
12	B_g	721	690	0.00
13	B_u	3595	3439	246.47
14	B_u	1899	1817	403.11
15	B_u	1371	1312	867.62
16	B_u	1238	1185	6.76
17	B_u	670	641	22.67
18	B_u	266	254	57.42

Atom	x (Å)	y (Å)
C1	-0.052	0.768
C2	0.052	-0.768
O3	1.127	1.366
O4	-1.127	-1.366
O5	-1.127	1.320
O6	1.127	-1.320
H7	1.798	0.649
H8	-1.798	-0.649

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5394	1.3221	2.3894	1.2091	2.3983	1.8537	2.2488
C2	1.5394		2.3894	1.3221	2.3983	1.2091	2.2488	1.8537
O3	1.3221	2.3894		3.5418	2.2551	2.6862	0.9816	3.5521
O4	2.3894	1.3221	3.5418		2.6862	2.2551	3.5521	0.9816
O5	1.2091	2.3983	2.2551	2.6862		3.4725	3.0015	2.0806
O6	2.3983	1.2091	2.6862	2.2551	3.4725		2.0806	3.0015
H7	1.8537	2.2488	0.9816	3.5521	3.0015	2.0806		3.8232
H8	2.2488	1.8537	3.5521	0.9816	2.0806	3.0015	3.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.021	C1	C2	O6	121.054
C1	O3	H7	106.217	C2	C1	O3	113.021
C2	C1	O5	121.054	C2	O4	H8	106.217
O3	C1	O5	125.925	O4	C2	O6	125.925

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

using model chemistry: B3PW91/6-31G*

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	0.560
2	C	0.560
3	O	-0.557
4	O	-0.557
5	O	-0.460
6	O	-0.460
7	H	0.458
8	H	0.458

	x	y	z
x	6.273	-0.269	0.000
y	-0.269	4.616	0.000
z	0.000	0.000	2.339

<r²>	134.177
(<r²>)^1/2	11.583

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

using model chemistry: B3PW91/6-31G*

States and conformations

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