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	hartrees
Energy at 0K	-378.252612
Energy at 298.15K	-378.256711
HF Energy	-378.252612
Nuclear repulsion energy	234.358140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3704	3525	0.00
2	A_g	1879	1789	0.00
3	A_g	1476	1405	0.00
4	A_g	1231	1172	0.00
5	A_g	843	802	0.00
6	A_g	567	539	0.00
7	A_g	408	389	0.00
8	A_u	710	676	219.43
9	A_u	466	444	62.90
10	A_u	126	119	7.20
11	B_g	817	778	0.00
12	B_g	702	668	0.00
13	B_u	3707	3529	283.17
14	B_u	1898	1807	529.42
15	B_u	1351	1286	837.54
16	B_u	1231	1171	8.66
17	B_u	673	641	22.55
18	B_u	260	248	57.88

Atom	x (Å)	y (Å)
C1	-0.050	0.768
C2	0.050	-0.768
O3	1.122	1.371
O4	-1.122	-1.371
O5	-1.122	1.320
O6	1.122	-1.320
H7	1.808	0.678
H8	-1.808	-0.678

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5396	1.3183	2.3932	1.2062	2.3946	1.8604	2.2771
C2	1.5396		2.3932	1.3183	2.3946	1.2062	2.2771	1.8604
O3	1.3183	2.3932		3.5440	2.2455	2.6910	0.9749	3.5764
O4	2.3932	1.3183	3.5440		2.6910	2.2455	3.5764	0.9749
O5	1.2062	2.3946	2.2455	2.6910		3.4651	3.0002	2.1127
O6	2.3946	1.2062	2.6910	2.2455	3.4651		2.1127	3.0002
H7	1.8604	2.2771	0.9749	3.5764	3.0002	2.1127		3.8629
H8	2.2771	1.8604	3.5764	0.9749	2.1127	3.0002	3.8629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.510	C1	C2	O6	120.928
C1	O3	H7	107.496	C2	C1	O3	113.510
C2	C1	O5	120.928	C2	O4	H8	107.496
O3	C1	O5	125.562	O4	C2	O6	125.562

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

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

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	0.486
2	C	0.486
3	O	-0.404
4	O	-0.404
5	O	-0.467
6	O	-0.467
7	H	0.384
8	H	0.384

	x	y	z
x	7.111	-0.367	0.000
y	-0.367	5.596	0.000
z	0.000	0.000	3.275

<r²>	134.856
(<r²>)^1/2	11.613

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

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

States and conformations

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