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	hartrees
Energy at 0K	-378.340504
Energy at 298.15K	-378.344672
HF Energy	-378.340504
Nuclear repulsion energy	235.320779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3693	3533	0.00
2	A_g	1885	1804	0.00
3	A_g	1482	1418	0.00
4	A_g	1242	1189	0.00
5	A_g	848	812	0.00
6	A_g	575	551	0.00
7	A_g	410	392	0.00
8	A_u	721	689	205.58
9	A_u	468	447	55.67
10	A_u	132	127	5.98
11	B_g	839	802	0.00
12	B_g	716	685	0.00
13	B_u	3698	3538	278.91
14	B_u	1903	1821	487.54
15	B_u	1366	1307	844.91
16	B_u	1233	1179	9.11
17	B_u	685	655	24.27
18	B_u	265	253	59.09

Atom	x (Å)	y (Å)
C1	-0.052	0.767
C2	0.052	-0.767
O3	1.120	1.364
O4	-1.120	-1.364
O5	-1.120	1.313
O6	1.120	-1.313
H7	1.787	0.657
H8	-1.787	-0.657

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5374	1.3156	2.3832	1.1992	2.3879	1.8432	2.2444
C2	1.5374		2.3832	1.3156	2.3879	1.1992	2.2444	1.8432
O3	1.3156	2.3832		3.5295	2.2405	2.6771	0.9723	3.5406
O4	2.3832	1.3156	3.5295		2.6771	2.2405	3.5406	0.9723
O5	1.1992	2.3879	2.2405	2.6771		3.4520	2.9806	2.0802
O6	2.3879	1.1992	2.6771	2.2405	3.4520		2.0802	2.9806
H7	1.8432	2.2444	0.9723	3.5406	2.9806	2.0802		3.8086
H8	2.2444	1.8432	3.5406	0.9723	2.0802	2.9806	3.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.067	C1	C2	O6	121.019
C1	O3	H7	106.375	C2	C1	O3	113.067
C2	C1	O5	121.019	C2	O4	H8	106.375
O3	C1	O5	125.914	O4	C2	O6	125.914

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

using model chemistry: mPW1PW91/6-311G**

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	0.332
2	C	0.332
3	O	-0.269
4	O	-0.269
5	O	-0.339
6	O	-0.339
7	H	0.276
8	H	0.276

	x	y	z
x	6.304	-0.300	0.000
y	-0.300	4.682	0.000
z	0.000	0.000	2.546

<r²>	133.401
(<r²>)^1/2	11.550

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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