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	hartrees
Energy at 0K	-378.472416
Energy at 298.15K	-378.476431
HF Energy	-378.472416
Nuclear repulsion energy	233.626010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3583	3453	0.00
2	A_g	1817	1751	0.00
3	A_g	1420	1368	0.00
4	A_g	1202	1159	0.00
5	A_g	811	782	0.00
6	A_g	557	537	0.00
7	A_g	389	375	0.00
8	A_u	709	683	205.10
9	A_u	446	430	56.65
10	A_u	124	119	6.33
11	B_g	811	782	0.00
12	B_g	703	677	0.00
13	B_u	3587	3456	239.27
14	B_u	1841	1775	462.98
15	B_u	1320	1272	788.37
16	B_u	1189	1146	15.93
17	B_u	662	638	22.31
18	B_u	241	232	59.33

Atom	x (Å)	y (Å)
C1	-0.054	0.771
C2	0.054	-0.771
O3	1.126	1.376
O4	-1.126	-1.376
O5	-1.126	1.324
O6	1.126	-1.324
H7	1.803	0.668
H8	-1.803	-0.668

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5452	1.3271	2.3999	1.2064	2.4045	1.8606	2.2645
C2	1.5452		2.3999	1.3271	2.4045	1.2064	2.2645	1.8606
O3	1.3271	2.3999		3.5572	2.2535	2.7004	0.9801	3.5724
O4	2.3999	1.3271	3.5572		2.7004	2.2535	3.5724	0.9801
O5	1.2064	2.4045	2.2535	2.7004		3.4766	3.0024	2.1035
O6	2.4045	1.2064	2.7004	2.2535	3.4766		2.1035	3.0024
H7	1.8606	2.2645	0.9801	3.5724	3.0024	2.1035		3.8460
H8	2.2645	1.8606	3.5724	0.9801	2.1035	3.0024	3.8460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.120	C1	C2	O6	121.334
C1	O3	H7	106.528	C2	C1	O3	113.120
C2	C1	O5	121.334	C2	O4	H8	106.528
O3	C1	O5	125.546	O4	C2	O6	125.546

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

using model chemistry: TPSSh/TZVP

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	0.216
2	C	0.216
3	O	-0.209
4	O	-0.209
5	O	-0.310
6	O	-0.310
7	H	0.303
8	H	0.303

	x	y	z
x	7.065	-0.318	0.000
y	-0.318	5.410	0.000
z	0.000	0.000	3.035

<r²>	135.470
(<r²>)^1/2	11.639

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

using model chemistry: TPSSh/TZVP

States and conformations

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