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	hartrees
Energy at 0K	-378.250078
Energy at 298.15K	-378.254192
HF Energy	-377.834695
Nuclear repulsion energy	233.967985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3647	3505	0.00
2	A_g	1810	1739	0.00
3	A_g	1441	1384	0.00
4	A_g	1226	1178	0.00
5	A_g	824	792	0.00
6	A_g	563	541	0.00
7	A_g	407	391	0.00
8	A_u	711	683	178.91
9	A_u	467	448	50.85
10	A_u	124	119	6.39
11	B_g	838	805	0.00
12	B_g	707	680	0.00
13	B_u	3651	3508	263.88
14	B_u	1834	1763	456.51
15	B_u	1335	1283	780.16
16	B_u	1204	1157	20.96
17	B_u	671	645	21.84
18	B_u	261	251	51.89

Atom	x (Å)	y (Å)
C1	-0.054	0.768
C2	0.054	-0.768
O3	1.123	1.377
O4	-1.123	-1.377
O5	-1.123	1.323
O6	1.123	-1.323
H7	1.805	0.681
H8	-1.805	-0.681

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5400	1.3250	2.3968	1.2051	2.3999	1.8610	2.2732
C2	1.5400		2.3968	1.3250	2.3999	1.2051	2.2732	1.8610
O3	1.3250	2.3968		3.5537	2.2470	2.7003	0.9744	3.5791
O4	2.3968	1.3250	3.5537		2.7003	2.2470	3.5791	0.9744
O5	1.2051	2.3999	2.2470	2.7003		3.4716	2.9980	2.1172
O6	2.3999	1.2051	2.7003	2.2470	3.4716		2.1172	2.9980
H7	1.8610	2.2732	0.9744	3.5791	2.9980	2.1172		3.8588
H8	2.2732	1.8610	3.5791	0.9744	2.1172	2.9980	3.8588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.353	C1	C2	O6	121.439
C1	O3	H7	107.073	C2	C1	O3	113.353
C2	C1	O5	121.439	C2	O4	H8	107.073
O3	C1	O5	125.209	O4	C2	O6	125.209

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

using model chemistry: B2PLYP/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	0.590
2	C	0.590
3	O	-0.303
4	O	-0.303
5	O	-0.532
6	O	-0.532
7	H	0.245
8	H	0.245

	x	y	z
x	7.506	-0.266	0.000
y	-0.266	6.252	0.000
z	0.000	0.000	3.896

<r²>	135.301
(<r²>)^1/2	11.632

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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