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	hartrees
Energy at 0K	-378.291416
Energy at 298.15K	-378.295554
HF Energy	-378.291416
Nuclear repulsion energy	234.762558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3658	3523	0.00
2	A_g	1863	1794	0.00
3	A_g	1463	1409	0.00
4	A_g	1230	1185	0.00
5	A_g	838	807	0.00
6	A_g	570	549	0.00
7	A_g	406	391	0.00
8	A_u	719	692	202.32
9	A_u	463	446	54.44
10	A_u	132	127	5.92
11	B_g	831	800	0.00
12	B_g	714	688	0.00
13	B_u	3662	3527	270.54
14	B_u	1883	1813	467.14
15	B_u	1353	1303	834.61
16	B_u	1220	1175	10.58
17	B_u	679	654	23.71
18	B_u	261	252	59.05

Atom	x (Å)	y (Å)
C1	-0.053	0.768
C2	0.053	-0.768
O3	1.122	1.367
O4	-1.122	-1.367
O5	-1.122	1.317
O6	1.122	-1.317
H7	1.791	0.657
H8	-1.791	-0.657

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5404	1.3193	2.3883	1.2019	2.3940	1.8470	2.2476
C2	1.5404		2.3883	1.3193	2.3940	1.2019	2.2476	1.8470
O3	1.3193	2.3883		3.5378	2.2454	2.6842	0.9748	3.5475
O4	2.3883	1.3193	3.5378		2.6842	2.2454	3.5475	0.9748
O5	1.2019	2.3940	2.2454	2.6842		3.4610	2.9868	2.0845
O6	2.3940	1.2019	2.6842	2.2454	3.4610		2.0845	2.9868
H7	1.8470	2.2476	0.9748	3.5475	2.9868	2.0845		3.8149
H8	2.2476	1.8470	3.5475	0.9748	2.0845	2.9868	3.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.039	C1	C2	O6	121.117
C1	O3	H7	106.278	C2	C1	O3	113.039
C2	C1	O5	121.117	C2	O4	H8	106.278
O3	C1	O5	125.844	O4	C2	O6	125.844

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

using model chemistry: B3PW91/6-311G**

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	0.324
2	C	0.324
3	O	-0.266
4	O	-0.266
5	O	-0.334
6	O	-0.334
7	H	0.276
8	H	0.276

	x	y	z
x	6.365	-0.287	0.000
y	-0.287	4.749	0.000
z	0.000	0.000	2.558

<r²>	133.946
(<r²>)^1/2	11.574

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

using model chemistry: B3PW91/6-311G**

States and conformations

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