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	hartrees
Energy at 0K	-378.147954
Energy at 298.15K	-378.152397
HF Energy	-378.319471
Nuclear repulsion energy	233.444918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3574	3432	0.00
2	A_g	1858	1784	0.00
3	A_g	1475	1417	0.00
4	A_g	1237	1188	0.00
5	A_g	829	796	0.00
6	A_g	566	544	0.00
7	A_g	409	393	0.00
8	A_u	722	693	209.28
9	A_u	453	435	57.85
10	A_u	131	126	5.81
11	B_g	793	761	0.00
12	B_g	707	679	0.00
13	B_u	3577	3435	226.27
14	B_u	1880	1806	387.58
15	B_u	1364	1310	857.19
16	B_u	1226	1177	13.20
17	B_u	669	642	22.04
18	B_u	268	258	54.76

Atom	x (Å)	y (Å)
C1	-0.053	0.770
C2	0.053	-0.770
O3	1.129	1.374
O4	-1.129	-1.374
O5	-1.129	1.324
O6	1.129	-1.324
H7	1.806	0.662
H8	-1.806	-0.662

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5431	1.3271	2.3983	1.2106	2.4042	1.8623	2.2637
C2	1.5431		2.3983	1.3271	2.4042	1.2106	2.2637	1.8623
O3	1.3271	2.3983		3.5560	2.2587	2.6974	0.9825	3.5720
O4	2.3983	1.3271	3.5560		2.6974	2.2587	3.5720	0.9825
O5	1.2106	2.4042	2.2587	2.6974		3.4799	3.0092	2.0980
O6	2.4042	1.2106	2.6974	2.2587	3.4799		2.0980	3.0092
H7	1.8623	2.2637	0.9825	3.5720	3.0092	2.0980		3.8476
H8	2.2637	1.8623	3.5720	0.9825	2.0980	3.0092	3.8476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	116.775	C1	C2	O6	120.636
C1	O3	H7	107.664	C2	C1	O3	116.775
C2	C1	O5	120.636	C2	O4	H8	107.664
O3	C1	O5	122.588	O4	C2	O6	122.588

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

using model chemistry: G3B3

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	0.554
2	C	0.554
3	O	-0.546
4	O	-0.546
5	O	-0.452
6	O	-0.452
7	H	0.444
8	H	0.444

<r²>	134.965
(<r²>)^1/2	11.617

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

using model chemistry: G3B3

States and conformations

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