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	hartrees
Energy at 0K	-378.277075
Energy at 298.15K	-378.281219
HF Energy	-378.277075
Nuclear repulsion energy	234.618666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3643	3507	0.00
2	A_g	1865	1795	0.00
3	A_g	1472	1417	0.00
4	A_g	1228	1182	0.00
5	A_g	836	805	0.00
6	A_g	570	548	0.00
7	A_g	411	396	0.00
8	A_u	729	702	236.64
9	A_u	465	447	60.79
10	A_u	131	126	6.19
11	B_g	832	801	0.00
12	B_g	720	693	0.00
13	B_u	3645	3509	199.34
14	B_u	1883	1813	459.58
15	B_u	1360	1309	890.22
16	B_u	1218	1172	11.00
17	B_u	679	653	24.62
18	B_u	270	260	57.54

Atom	x (Å)	y (Å)
C1	-0.053	0.769
C2	0.053	-0.769
O3	1.122	1.368
O4	-1.122	-1.368
O5	-1.122	1.319
O6	1.122	-1.319
H7	1.804	0.673
H8	-1.804	-0.673

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5416	1.3193	2.3894	1.2016	2.3956	1.8596	2.2675
C2	1.5416		2.3894	1.3193	2.3956	1.2016	2.2675	1.8596
O3	1.3193	2.3894		3.5388	2.2444	2.6868	0.9740	3.5671
O4	2.3894	1.3193	3.5388		2.6868	2.2444	3.5671	0.9740
O5	1.2016	2.3956	2.2444	2.6868		3.4625	2.9961	2.1047
O6	2.3956	1.2016	2.6868	2.2444	3.4625		2.1047	2.9961
H7	1.8596	2.2675	0.9740	3.5671	2.9961	2.1047		3.8501
H8	2.2675	1.8596	3.5671	0.9740	2.1047	2.9961	3.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.044	C1	C2	O6	121.196
C1	O3	H7	107.407	C2	C1	O3	113.044
C2	C1	O5	121.196	C2	O4	H8	107.407
O3	C1	O5	125.760	O4	C2	O6	125.760

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

using model chemistry: B3PW91/6-311G*

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	0.363
2	C	0.363
3	O	-0.465
4	O	-0.465
5	O	-0.332
6	O	-0.332
7	H	0.435
8	H	0.435

	x	y	z
x	6.339	-0.293	0.000
y	-0.293	4.687	0.000
z	0.000	0.000	2.493

<r²>	134.236
(<r²>)^1/2	11.586

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

using model chemistry: B3PW91/6-311G*

States and conformations

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