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	hartrees
Energy at 0K	-76.434768
Energy at 298.15K	-76.438806
HF Energy	-76.434768
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3716	3716	0.00
2	A_g	1856	1856	0.00
3	A_g	1475	1475	0.00
4	A_g	1232	1232	0.00
5	A_g	830	830	0.00
6	A_g	560	560	0.00
7	A_g	405	405	0.00
8	A_u	688	688	231.79
9	A_u	453	453	66.43
10	A_u	118	118	6.41
11	B_g	811	811	0.00
12	B_g	680	680	0.00
13	B_u	3719	3719	236.36
14	B_u	1865	1865	530.23
15	B_u	1359	1359	908.29
16	B_u	1216	1216	15.58
17	B_u	669	669	26.41
18	B_u	263	263	55.17

Atom	x (Å)	y (Å)
C1	-0.053	0.779
C2	0.053	-0.779
O3	1.129	1.384
O4	-1.129	-1.384
O5	-1.129	1.330
O6	1.129	-1.330
H7	1.810	0.685
H8	-1.810	-0.685

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5615	1.3284	2.4160	1.2091	2.4181	1.8660	2.2871
C2	1.5615		2.4160	1.3284	2.4181	1.2091	2.2871	1.8660
O3	1.3284	2.4160		3.5729	2.2593	2.7145	0.9760	3.5950
O4	2.4160	1.3284	3.5729		2.7145	2.2593	3.5950	0.9760
O5	1.2091	2.4181	2.2593	2.7145		3.4900	3.0097	2.1273
O6	2.4181	1.2091	2.7145	2.2593	3.4900		2.1273	3.0097
H7	1.8660	2.2871	0.9760	3.5950	3.0097	2.1273		3.8714
H8	2.2871	1.8660	3.5950	0.9760	2.1273	3.0097	3.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.197	C1	C2	O6	121.037
C1	O3	H7	107.146	C2	C1	O3	113.197
C2	C1	O5	121.037	C2	O4	H8	107.146
O3	C1	O5	125.766	O4	C2	O6	125.766

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

using model chemistry: wB97X-D/CEP-121G*

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	0.241
2	C	0.241
3	O	-0.397
4	O	-0.397
5	O	-0.307
6	O	-0.307
7	H	0.464
8	H	0.464

	x	y	z
x	6.605	-0.346	0.000
y	-0.346	5.035	0.000
z	0.000	0.000	2.889

<r²>	108.969
(<r²>)^1/2	10.439

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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