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	hartrees
Energy at 0K	-378.236486
Energy at 298.15K	-378.240625
HF Energy	-378.236486
Nuclear repulsion energy	234.769492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3691	3512	0.00
2	A_g	1898	1806	0.00
3	A_g	1499	1427	0.00
4	A_g	1249	1188	0.00
5	A_g	850	809	0.00
6	A_g	574	547	0.00
7	A_g	411	391	0.00
8	A_u	732	696	213.21
9	A_u	459	437	55.85
10	A_u	134	127	6.09
11	B_g	806	767	0.00
12	B_g	722	687	0.00
13	B_u	3695	3516	264.14
14	B_u	1918	1825	429.98
15	B_u	1372	1306	864.05
16	B_u	1247	1187	11.14
17	B_u	677	644	22.88
18	B_u	266	253	58.93

Atom	x (Å)	y (Å)
C1	-0.051	0.766
C2	0.051	-0.766
O3	1.125	1.362
O4	-1.125	-1.362
O5	-1.125	1.316
O6	1.125	-1.316
H7	1.792	0.651
H8	-1.792	-0.651

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5363	1.3175	2.3841	1.2064	2.3913	1.8466	2.2456
C2	1.5363		2.3841	1.3175	2.3913	1.2064	2.2456	1.8466
O3	1.3175	2.3841		3.5326	2.2496	2.6782	0.9755	3.5441
O4	2.3841	1.3175	3.5326		2.6782	2.2496	3.5441	0.9755
O5	1.2064	2.3913	2.2496	2.6782		3.4623	2.9918	2.0774
O6	2.3913	1.2064	2.6782	2.2496	3.4623		2.0774	2.9918
H7	1.8466	2.2456	0.9755	3.5441	2.9918	2.0774		3.8138
H8	2.2456	1.8466	3.5441	0.9755	2.0774	2.9918	3.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.097	C1	C2	O6	120.885
C1	O3	H7	106.328	C2	C1	O3	113.097
C2	C1	O5	120.885	C2	O4	H8	106.328
O3	C1	O5	126.018	O4	C2	O6	126.018

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

using model chemistry: mPW1PW91/6-31G**

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	0.576
2	C	0.576
3	O	-0.477
4	O	-0.477
5	O	-0.467
6	O	-0.467
7	H	0.368
8	H	0.368

	x	y	z
x	6.225	-0.285	0.000
y	-0.285	4.558	0.000
z	0.000	0.000	2.348

<r²>	133.536
(<r²>)^1/2	11.556

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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