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	hartrees
Energy at 0K	-378.381845
Energy at 298.15K	-378.386015
HF Energy	-378.381845
Nuclear repulsion energy	235.370228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3678	3528	0.00
2	A_g	1872	1796	0.00
3	A_g	1476	1416	0.00
4	A_g	1241	1190	0.00
5	A_g	844	810	0.00
6	A_g	572	549	0.00
7	A_g	406	390	0.00
8	A_u	731	701	183.36
9	A_u	471	452	48.14
10	A_u	130	124	6.51
11	B_g	851	816	0.00
12	B_g	731	701	0.00
13	B_u	3682	3532	267.15
14	B_u	1894	1817	482.62
15	B_u	1358	1303	828.97
16	B_u	1232	1182	3.93
17	B_u	682	654	22.07
18	B_u	259	248	58.62

Atom	x (Å)	y (Å)
C1	-0.053	0.766
C2	0.053	-0.766
O3	1.119	1.364
O4	-1.119	-1.364
O5	-1.119	1.315
O6	1.119	-1.315
H7	1.788	0.658
H8	-1.788	-0.658

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5353	1.3157	2.3815	1.1988	2.3879	1.8445	2.2447
C2	1.5353		2.3815	1.3157	2.3879	1.1988	2.2447	1.8445
O3	1.3157	2.3815		3.5281	2.2384	2.6785	0.9725	3.5412
O4	2.3815	1.3157	3.5281		2.6785	2.2384	3.5412	0.9725
O5	1.1988	2.3879	2.2384	2.6785		3.4527	2.9803	2.0833
O6	2.3879	1.1988	2.6785	2.2384	3.4527		2.0833	2.9803
H7	1.8445	2.2447	0.9725	3.5412	2.9803	2.0833		3.8110
H8	2.2447	1.8445	3.5412	0.9725	2.0833	2.9803	3.8110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.066	C1	C2	O6	121.212
C1	O3	H7	106.457	C2	C1	O3	113.066
C2	C1	O5	121.212	C2	O4	H8	106.457
O3	C1	O5	125.722	O4	C2	O6	125.722

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.238
2	C	0.238
3	O	-0.179
4	O	-0.179
5	O	-0.287
6	O	-0.287
7	H	0.229
8	H	0.229

	x	y	z
x	6.641	-0.281	0.000
y	-0.281	5.353	0.000
z	0.000	0.000	3.090

<r²>	133.281
(<r²>)^1/2	11.545

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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