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	hartrees
Energy at 0K	-378.039832
Energy at 298.15K	-378.043983
HF Energy	-377.710364
Nuclear repulsion energy	233.672223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3622	3469	0.00
2	A_g	1842	1764	0.00
3	A_g	1483	1421	0.00
4	A_g	1243	1190	0.00
5	A_g	836	801	0.00
6	A_g	571	547	0.00
7	A_g	407	390	0.00
8	A_u	721	691	184.34
9	A_u	466	446	46.27
10	A_u	137	131	5.33
11	B_g	835	799	0.00
12	B_g	720	690	0.00
13	B_u	3627	3474	271.61
14	B_u	1859	1780	383.82
15	B_u	1368	1310	795.36
16	B_u	1220	1168	12.63
17	B_u	671	642	21.71
18	B_u	261	250	55.63

Atom	x (Å)	y (Å)
C1	-0.053	0.767
C2	0.053	-0.767
O3	1.130	1.370
O4	-1.130	-1.370
O5	-1.130	1.323
O6	1.130	-1.323
H7	1.789	0.645
H8	-1.789	-0.645

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5378	1.3278	2.3933	1.2118	2.4019	1.8465	2.2381
C2	1.5378		2.3933	1.3278	2.4019	1.2118	2.2381	1.8465
O3	1.3278	2.3933		3.5520	2.2599	2.6938	0.9804	3.5473
O4	2.3933	1.3278	3.5520		2.6938	2.2599	3.5473	0.9804
O5	1.2118	2.4019	2.2599	2.6938		3.4799	2.9968	2.0761
O6	2.4019	1.2118	2.6938	2.2599	3.4799		2.0761	2.9968
H7	1.8465	2.2381	0.9804	3.5473	2.9968	2.0761		3.8042
H8	2.2381	1.8465	3.5473	0.9804	2.0761	2.9968	3.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.065	C1	C2	O6	121.287
C1	O3	H7	105.262	C2	C1	O3	113.065
C2	C1	O5	121.287	C2	O4	H8	105.262
O3	C1	O5	125.648	O4	C2	O6	125.648

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

using model chemistry: B2PLYP/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	0.172
2	C	0.172
3	O	-0.126
4	O	-0.126
5	O	-0.224
6	O	-0.224
7	H	0.177
8	H	0.177

	x	y	z
x	6.270	-0.262	0.000
y	-0.262	4.618	0.000
z	0.000	0.000	2.342

<r²>	134.708
(<r²>)^1/2	11.606

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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