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	hartrees
Energy at 0K	-76.420152
Energy at 298.15K	-76.424193
HF Energy	-76.420152
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3736	3736	0.00
2	A_g	1883	1883	0.00
3	A_g	1482	1482	0.00
4	A_g	1240	1240	0.00
5	A_g	834	834	0.00
6	A_g	556	556	0.00
7	A_g	414	414	0.00
8	A_u	677	677	229.79
9	A_u	457	457	65.61
10	A_u	122	122	6.78
11	B_g	817	817	0.00
12	B_g	669	669	0.00
13	B_u	3739	3739	247.40
14	B_u	1891	1891	546.75
15	B_u	1361	1361	924.14
16	B_u	1222	1222	12.40
17	B_u	666	666	25.11
18	B_u	276	276	52.71

Atom	x (Å)	y (Å)
C1	-0.052	0.783
C2	0.052	-0.783
O3	1.133	1.389
O4	-1.133	-1.389
O5	-1.133	1.338
O6	1.133	-1.338
H7	1.814	0.686
H8	-1.814	-0.686

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5696	1.3309	2.4261	1.2149	2.4298	1.8691	2.2943
C2	1.5696		2.4261	1.3309	2.4298	1.2149	2.2943	1.8691
O3	1.3309	2.4261		3.5847	2.2662	2.7273	0.9791	3.6044
O4	2.4261	1.3309	3.5847		2.7273	2.2662	3.6044	0.9791
O5	1.2149	2.4298	2.2662	2.7273		3.5067	3.0185	2.1360
O6	2.4298	1.2149	2.7273	2.2662	3.5067		2.1360	3.0185
H7	1.8691	2.2943	0.9791	3.6044	3.0185	2.1360		3.8796
H8	2.2943	1.8691	3.6044	0.9791	2.1360	3.0185	3.8796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.273	C1	C2	O6	121.004
C1	O3	H7	107.033	C2	C1	O3	113.273
C2	C1	O5	121.004	C2	O4	H8	107.033
O3	C1	O5	125.723	O4	C2	O6	125.723

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

using model chemistry: wB97X-D/CEP-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	-0.051
2	C	-0.051
3	O	-0.271
4	O	-0.271
5	O	-0.119
6	O	-0.119
7	H	0.441
8	H	0.441

	x	y	z
x	6.473	-0.375	0.000
y	-0.375	4.943	0.000
z	0.000	0.000	2.769

<r²>	109.673
(<r²>)^1/2	10.473

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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