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	hartrees
Energy at 0K	-378.332172
Energy at 298.15K	-378.336312
HF Energy	-378.332172
Nuclear repulsion energy	234.826141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3643	3503	0.00
2	A_g	1850	1779	0.00
3	A_g	1458	1402	0.00
4	A_g	1229	1182	0.00
5	A_g	834	802	0.00
6	A_g	567	545	0.00
7	A_g	402	387	0.00
8	A_u	729	701	180.57
9	A_u	467	449	47.31
10	A_u	129	124	6.43
11	B_g	843	810	0.00
12	B_g	728	700	0.00
13	B_u	3647	3507	259.30
14	B_u	1875	1803	465.18
15	B_u	1345	1294	819.83
16	B_u	1220	1173	5.47
17	B_u	676	650	21.66
18	B_u	256	246	58.45

Atom	x (Å)	y (Å)
C1	-0.054	0.767
C2	0.054	-0.767
O3	1.121	1.367
O4	-1.121	-1.367
O5	-1.121	1.318
O6	1.121	-1.318
H7	1.792	0.659
H8	-1.792	-0.659

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5380	1.3193	2.3865	1.2014	2.3936	1.8486	2.2485
C2	1.5380		2.3865	1.3193	2.3936	1.2014	2.2485	1.8486
O3	1.3193	2.3865		3.5364	2.2430	2.6855	0.9750	3.5486
O4	2.3865	1.3193	3.5364		2.6855	2.2430	3.5486	0.9750
O5	1.2014	2.3936	2.2430	2.6855		3.4612	2.9866	2.0882
O6	2.3936	1.2014	2.6855	2.2430	3.4612		2.0882	2.9866
H7	1.8486	2.2485	0.9750	3.5486	2.9866	2.0882		3.8185
H8	2.2485	1.8486	3.5486	0.9750	2.0882	2.9866	3.8185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.050	C1	C2	O6	121.309
C1	O3	H7	106.394	C2	C1	O3	113.050
C2	C1	O5	121.309	C2	O4	H8	106.394
O3	C1	O5	125.641	O4	C2	O6	125.641

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

using model chemistry: B3PW91/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	-0.182
4	O	-0.182
5	O	-0.287
6	O	-0.287
7	H	0.231
8	H	0.231

	x	y	z
x	6.714	-0.271	0.000
y	-0.271	5.427	0.000
z	0.000	0.000	3.109

<r²>	133.822
(<r²>)^1/2	11.568

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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