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	hartrees
Energy at 0K	-377.976249
Energy at 298.15K	-377.980316
HF Energy	-377.976249
Nuclear repulsion energy	232.639290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3378	3358	0.00
2	A_g	1781	1771	0.00
3	A_g	1429	1421	0.00
4	A_g	1196	1189	0.00
5	A_g	809	804	0.00
6	A_g	555	552	0.00
7	A_g	383	380	0.00
8	A_u	753	749	155.60
9	A_u	442	439	33.62
10	A_u	143	142	4.67
11	B_g	803	798	0.00
12	B_g	752	747	0.00
13	B_u	3385	3365	261.71
14	B_u	1812	1802	348.36
15	B_u	1330	1322	738.04
16	B_u	1188	1181	8.22
17	B_u	644	641	18.63
18	B_u	246	244	60.75

Atom	x (Å)	y (Å)
C1	-0.054	0.769
C2	0.054	-0.769
O3	1.139	1.366
O4	-1.139	-1.366
O5	-1.139	1.330
O6	1.139	-1.330
H7	1.779	0.602
H8	-1.779	-0.602

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5414	1.3344	2.3948	1.2218	2.4145	1.8412	2.2034
C2	1.5414		2.3948	1.3344	2.4145	1.2218	2.2034	1.8412
O3	1.3344	2.3948		3.5574	2.2789	2.6961	0.9971	3.5200
O4	2.3948	1.3344	3.5574		2.6961	2.2789	3.5200	0.9971
O5	1.2218	2.4145	2.2789	2.6961		3.5027	3.0083	2.0350
O6	2.4145	1.2218	2.6961	2.2789	3.5027		2.0350	3.0083
H7	1.8412	2.2034	0.9971	3.5200	3.0083	2.0350		3.7568
H8	2.2034	1.8412	3.5200	0.9971	2.0350	3.0083	3.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.560	C1	C2	O6	121.374
C1	O3	H7	103.364	C2	C1	O3	112.560
C2	C1	O5	121.374	C2	O4	H8	103.364
O3	C1	O5	126.067	O4	C2	O6	126.067

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

using model chemistry: PBEPBE/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	0.122
2	C	0.122
3	O	-0.087
4	O	-0.087
5	O	-0.200
6	O	-0.200
7	H	0.165
8	H	0.165

	x	y	z
x	6.525	-0.146	0.000
y	-0.146	4.969	0.000
z	0.000	0.000	2.405

<r²>	135.150
(<r²>)^1/2	11.625

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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