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	hartrees
Energy at 0K	-377.999882
Energy at 298.15K	-378.004032
HF Energy	-377.999882
Nuclear repulsion energy	234.565219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3659	3518	0.00
2	A_g	1861	1790	0.00
3	A_g	1481	1424	0.00
4	A_g	1238	1190	0.00
5	A_g	845	812	0.00
6	A_g	568	546	0.00
7	A_g	404	388	0.00
8	A_u	727	699	176.94
9	A_u	469	451	50.29
10	A_u	131	126	6.43
11	B_g	845	813	0.00
12	B_g	724	696	0.00
13	B_u	3663	3522	269.39
14	B_u	1882	1810	500.64
15	B_u	1360	1308	797.12
16	B_u	1226	1179	2.47
17	B_u	671	645	21.49
18	B_u	255	245	56.80

Atom	x (Å)	y (Å)
C1	-0.051	0.766
C2	0.051	-0.766
O3	1.123	1.368
O4	-1.123	-1.368
O5	-1.123	1.318
O6	1.123	-1.318
H7	1.796	0.660
H8	-1.796	-0.660

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5349	1.3198	2.3878	1.2061	2.3922	1.8500	2.2529
C2	1.5349		2.3878	1.3198	2.3922	1.2061	2.2529	1.8500
O3	1.3198	2.3878		3.5399	2.2470	2.6861	0.9766	3.5541
O4	2.3878	1.3198	3.5399		2.6861	2.2470	3.5541	0.9766
O5	1.2061	2.3922	2.2470	2.6861		3.4638	2.9924	2.0892
O6	2.3922	1.2061	2.6861	2.2470	3.4638		2.0892	2.9924
H7	1.8500	2.2529	0.9766	3.5541	2.9924	2.0892		3.8262
H8	2.2529	1.8500	3.5541	0.9766	2.0892	2.9924	3.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.320	C1	C2	O6	121.088
C1	O3	H7	106.378	C2	C1	O3	113.320
C2	C1	O5	121.088	C2	O4	H8	106.378
O3	C1	O5	125.591	O4	C2	O6	125.591

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

using model chemistry: PBE1PBE/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	0.767
2	C	0.767
3	O	-0.466
4	O	-0.466
5	O	-0.516
6	O	-0.516
7	H	0.215
8	H	0.215

	x	y	z
x	7.323	-0.280	0.000
y	-0.280	6.108	0.000
z	0.000	0.000	3.770

<r²>	134.364
(<r²>)^1/2	11.592

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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