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	hartrees
Energy at 0K	-378.013615
Energy at 298.15K	-378.017612
HF Energy	-378.013615
Nuclear repulsion energy	231.996551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3451	3430	0.00
2	A_g	1753	1742	0.00
3	A_g	1396	1387	0.00
4	A_g	1180	1172	0.00
5	A_g	798	793	0.00
6	A_g	543	540	0.00
7	A_g	382	379	0.00
8	A_u	729	724	156.51
9	A_u	440	437	41.61
10	A_u	128	127	5.76
11	B_g	799	794	0.00
12	B_g	724	720	0.00
13	B_u	3454	3433	228.50
14	B_u	1785	1775	405.85
15	B_u	1301	1293	723.05
16	B_u	1165	1158	12.23
17	B_u	637	633	18.82
18	B_u	241	239	56.07

Atom	x (Å)	y (Å)
C1	-0.054	0.771
C2	0.054	-0.771
O3	1.136	1.381
O4	-1.136	-1.381
O5	-1.136	1.335
O6	1.136	-1.335
H7	1.804	0.649
H8	-1.804	-0.649

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5448	1.3376	2.4083	1.2211	2.4190	1.8623	2.2536
C2	1.5448		2.4083	1.3376	2.4190	1.2211	2.2536	1.8623
O3	1.3376	2.4083		3.5765	2.2734	2.7161	0.9909	3.5732
O4	2.4083	1.3376	3.5765		2.7161	2.2734	3.5732	0.9909
O5	1.2211	2.4190	2.2734	2.7161		3.5070	3.0200	2.0936
O6	2.4190	1.2211	2.7161	2.2734	3.5070		2.0936	3.0200
H7	1.8623	2.2536	0.9909	3.5732	3.0200	2.0936		3.8350
H8	2.2536	1.8623	3.5732	0.9909	2.0936	3.0200	3.8350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.139	C1	C2	O6	121.554
C1	O3	H7	105.244	C2	C1	O3	113.139
C2	C1	O5	121.554	C2	O4	H8	105.244
O3	C1	O5	125.307	O4	C2	O6	125.307

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

using model chemistry: PBEPBEultrafine/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	0.684
2	C	0.684
3	O	-0.410
4	O	-0.410
5	O	-0.473
6	O	-0.473
7	H	0.200
8	H	0.200

	x	y	z
x	7.882	-0.206	0.000
y	-0.206	6.695	0.000
z	0.000	0.000	3.984

<r²>	136.896
(<r²>)^1/2	11.700

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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