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	hartrees
Energy at 0K	-378.319505
Energy at 298.15K	-378.323678
HF Energy	-378.319505
Nuclear repulsion energy	235.646846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3693	3546	0.00
2	A_g	1890	1815	0.00
3	A_g	1483	1424	0.00
4	A_g	1241	1192	0.00
5	A_g	850	816	0.00
6	A_g	574	551	0.00
7	A_g	412	396	0.00
8	A_u	719	690	205.72
9	A_u	465	447	55.35
10	A_u	133	128	5.86
11	B_g	835	802	0.00
12	B_g	715	686	0.00
13	B_u	3698	3551	284.74
14	B_u	1908	1832	493.19
15	B_u	1366	1311	842.56
16	B_u	1233	1184	8.26
17	B_u	683	656	24.41
18	B_u	270	259	57.22

Atom	x (Å)	y (Å)
C1	-0.053	0.766
C2	0.053	-0.766
O3	1.119	1.360
O4	-1.119	-1.360
O5	-1.119	1.311
O6	1.119	-1.311
H7	1.784	0.652
H8	-1.784	-0.652

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5349	1.3142	2.3786	1.1980	2.3843	1.8405	2.2378
C2	1.5349		2.3786	1.3142	2.3843	1.1980	2.2378	1.8405
O3	1.3142	2.3786		3.5233	2.2393	2.6710	0.9719	3.5326
O4	2.3786	1.3142	3.5233		2.6710	2.2393	3.5326	0.9719
O5	1.1980	2.3843	2.2393	2.6710		3.4473	2.9776	2.0718
O6	2.3843	1.1980	2.6710	2.2393	3.4473		2.0718	2.9776
H7	1.8405	2.2378	0.9719	3.5326	2.9776	2.0718		3.7992
H8	2.2378	1.8405	3.5326	0.9719	2.0718	2.9776	3.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.974	C1	C2	O6	120.989
C1	O3	H7	106.273	C2	C1	O3	112.974
C2	C1	O5	120.989	C2	O4	H8	106.273
O3	C1	O5	126.037	O4	C2	O6	126.037

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

using model chemistry: B1B95/6-311G**

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	0.320
2	C	0.320
3	O	-0.267
4	O	-0.267
5	O	-0.331
6	O	-0.331
7	H	0.279
8	H	0.279

	x	y	z
x	6.286	-0.302	0.000
y	-0.302	4.666	0.000
z	0.000	0.000	2.536

<r²>	133.001
(<r²>)^1/2	11.533

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

using model chemistry: B1B95/6-311G**

States and conformations

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