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	hartrees
Energy at 0K	-74.945625
Energy at 298.15K	-74.949878
HF Energy	-74.945625
Nuclear repulsion energy	126.840853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4058	3644	0.00
2	A_g	2065	1855	0.00
3	A_g	1615	1450	0.00
4	A_g	1339	1203	0.00
5	A_g	914	821	0.00
6	A_g	602	541	0.00
7	A_g	450	404	0.00
8	A_u	667	599	278.50
9	A_u	518	465	106.64
10	A_u	116	104	8.64
11	B_g	916	823	0.00
12	B_g	659	592	0.00
13	B_u	4061	3646	351.03
14	B_u	2045	1837	808.31
15	B_u	1461	1312	1052.36
16	B_u	1303	1170	14.65
17	B_u	726	652	33.31
18	B_u	293	263	51.69

Atom	x (Å)	y (Å)
C1	-0.049	0.777
C2	0.049	-0.777
O3	1.114	1.390
O4	-1.114	-1.390
O5	-1.114	1.317
O6	1.114	-1.317
H7	1.820	0.743
H8	-1.820	-0.743

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5570	1.3148	2.4140	1.1937	2.3951	1.8698	2.3336
C2	1.5570		2.4140	1.3148	2.3951	1.1937	2.3336	1.8698
O3	1.3148	2.4140		3.5620	2.2292	2.7062	0.9575	3.6272
O4	2.4140	1.3148	3.5620		2.7062	2.2292	3.6272	0.9575
O5	1.1937	2.3951	2.2292	2.7062		3.4494	2.9897	2.1772
O6	2.3951	1.1937	2.7062	2.2292	3.4494		2.1772	2.9897
H7	1.8698	2.3336	0.9575	3.6272	2.9897	2.1772		3.9318
H8	2.3336	1.8698	3.6272	0.9575	2.1772	2.9897	3.9318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	114.138	C1	C2	O6	120.514
C1	O3	H7	109.744	C2	C1	O3	114.138
C2	C1	O5	120.514	C2	O4	H8	109.744
O3	C1	O5	125.347	O4	C2	O6	125.347

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

using model chemistry: HF/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	0.121
2	C	0.121
3	O	-0.400
4	O	-0.400
5	O	-0.215
6	O	-0.215
7	H	0.494
8	H	0.494

	x	y	z
x	5.820	-0.538	0.000
y	-0.538	4.258	0.000
z	0.000	0.000	2.644

<r²>	108.466
(<r²>)^1/2	10.415

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

using model chemistry: HF/CEP-31G*

States and conformations

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