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	hartrees
Energy at 0K	-378.299807
Energy at 298.15K	-378.303952
HF Energy	-378.299807
Nuclear repulsion energy	234.560028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3667	3514	0.00
2	A_g	1860	1782	0.00
3	A_g	1478	1416	0.00
4	A_g	1237	1186	0.00
5	A_g	843	808	0.00
6	A_g	568	544	0.00
7	A_g	403	387	0.00
8	A_u	724	694	177.86
9	A_u	470	450	51.41
10	A_u	130	124	6.48
11	B_g	846	811	0.00
12	B_g	721	691	0.00
13	B_u	3671	3518	266.43
14	B_u	1881	1802	500.38
15	B_u	1359	1302	801.75
16	B_u	1225	1174	2.91
17	B_u	672	644	21.71
18	B_u	254	244	56.55

Atom	x (Å)	y (Å)
C1	-0.051	0.766
C2	0.051	-0.766
O3	1.123	1.369
O4	-1.123	-1.369
O5	-1.123	1.318
O6	1.123	-1.318
H7	1.797	0.664
H8	-1.797	-0.664

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5354	1.3200	2.3888	1.2054	2.3922	1.8513	2.2568
C2	1.5354		2.3888	1.3200	2.3922	1.2054	2.2568	1.8513
O3	1.3200	2.3888		3.5412	2.2460	2.6874	0.9755	3.5581
O4	2.3888	1.3200	3.5412		2.6874	2.2460	3.5581	0.9755
O5	1.2054	2.3922	2.2460	2.6874		3.4632	2.9922	2.0941
O6	2.3922	1.2054	2.6874	2.2460	3.4632		2.0941	2.9922
H7	1.8513	2.2568	0.9755	3.5581	2.9922	2.0941		3.8319
H8	2.2568	1.8513	3.5581	0.9755	2.0941	2.9922	3.8319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.354	C1	C2	O6	121.110
C1	O3	H7	106.543	C2	C1	O3	113.354
C2	C1	O5	121.110	C2	O4	H8	106.543
O3	C1	O5	125.536	O4	C2	O6	125.536

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.747
2	C	0.747
3	O	-0.463
4	O	-0.463
5	O	-0.505
6	O	-0.505
7	H	0.221
8	H	0.221

	x	y	z
x	7.304	-0.282	0.000
y	-0.282	6.090	0.000
z	0.000	0.000	3.758

<r²>	134.380
(<r²>)^1/2	11.592

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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