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	hartrees
Energy at 0K	-74.738848
Energy at 298.15K	-74.742946
HF Energy	-74.738848
Nuclear repulsion energy	124.837583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4008	3613	0.00
2	A_g	1931	1740	0.00
3	A_g	1480	1334	0.00
4	A_g	1287	1160	0.00
5	A_g	871	786	0.00
6	A_g	593	534	0.00
7	A_g	436	393	0.00
8	A_u	619	558	478.23
9	A_u	496	447	120.26
10	A_u	114	102	8.21
11	B_g	871	785	0.00
12	B_g	602	543	0.00
13	B_u	4008	3613	373.14
14	B_u	1917	1728	603.57
15	B_u	1308	1179	1049.84
16	B_u	1265	1141	9.66
17	B_u	696	628	27.12
18	B_u	276	249	59.72

Atom	x (Å)	y (Å)
C1	-0.046	0.774
C2	0.046	-0.774
O3	1.131	1.414
O4	-1.131	-1.414
O5	-1.131	1.322
O6	1.131	-1.322
H7	1.915	0.856
H8	-1.915	-0.856

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5503	1.3399	2.4418	1.2158	2.4038	1.9627	2.4798
C2	1.5503		2.4418	1.3399	2.4038	1.2158	2.4798	1.9627
O3	1.3399	2.4418		3.6210	2.2642	2.7357	0.9618	3.7988
O4	2.4418	1.3399	3.6210		2.7357	2.2642	3.7988	0.9618
O5	1.2158	2.4038	2.2642	2.7357		3.4799	3.0816	2.3149
O6	2.4038	1.2158	2.7357	2.2642	3.4799		2.3149	3.0816
H7	1.9627	2.4798	0.9618	3.7988	3.0816	2.3149		4.1952
H8	2.4798	1.9627	3.7988	0.9618	2.3149	3.0816	4.1952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	115.123	C1	C2	O6	120.211
C1	O3	H7	116.050	C2	C1	O3	115.123
C2	C1	O5	120.211	C2	O4	H8	116.050
O3	C1	O5	124.666	O4	C2	O6	124.666

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	0.160
2	C	0.160
3	O	-0.424
4	O	-0.424
5	O	-0.201
6	O	-0.201
7	H	0.465
8	H	0.465

	x	y	z
x	6.269	-0.795	0.000
y	-0.795	3.910	0.000
z	0.000	0.000	2.251

<r²>	112.497
(<r²>)^1/2	10.606

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)