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	hartrees
Energy at 0K	-377.966698
Energy at 298.15K	-377.970897
HF Energy	-377.966698
Nuclear repulsion energy	235.084194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3617	3478	0.00
2	A_g	1894	1821	0.00
3	A_g	1509	1451	0.00
4	A_g	1251	1203	0.00
5	A_g	855	822	0.00
6	A_g	578	555	0.00
7	A_g	407	391	0.00
8	A_u	741	713	184.67
9	A_u	470	452	45.15
10	A_u	142	136	5.66
11	B_g	847	815	0.00
12	B_g	742	713	0.00
13	B_u	3624	3484	298.29
14	B_u	1911	1837	460.05
15	B_u	1385	1331	817.28
16	B_u	1244	1196	9.17
17	B_u	679	652	21.93
18	B_u	260	250	60.53

Atom	x (Å)	y (Å)
C1	-0.052	0.764
C2	0.052	-0.764
O3	1.124	1.358
O4	-1.124	-1.358
O5	-1.124	1.315
O6	1.124	-1.315
H7	1.778	0.627
H8	-1.778	-0.627

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5324	1.3173	2.3783	1.2057	2.3886	1.8347	2.2174
C2	1.5324		2.3783	1.3173	2.3886	1.2057	2.2174	1.8347
O3	1.3173	2.3783		3.5264	2.2493	2.6727	0.9807	3.5164
O4	2.3783	1.3173	3.5264		2.6727	2.2493	3.5164	0.9807
O5	1.2057	2.3886	2.2493	2.6727		3.4598	2.9828	2.0486
O6	2.3886	1.2057	2.6727	2.2493	3.4598		2.0486	2.9828
H7	1.8347	2.2174	0.9807	3.5164	2.9828	2.0486		3.7707
H8	2.2174	1.8347	3.5164	0.9807	2.0486	2.9828	3.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.927	C1	C2	O6	121.005
C1	O3	H7	105.009	C2	C1	O3	112.927
C2	C1	O5	121.005	C2	O4	H8	105.009
O3	C1	O5	126.067	O4	C2	O6	126.067

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

using model chemistry: PBE1PBE/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	0.180
2	C	0.180
3	O	-0.121
4	O	-0.121
5	O	-0.238
6	O	-0.238
7	H	0.179
8	H	0.179

	x	y	z
x	6.138	-0.253	0.000
y	-0.253	4.569	0.000
z	0.000	0.000	2.356

<r²>	133.075
(<r²>)^1/2	11.536

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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