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	hartrees
Energy at 0K	-378.230863
Energy at 298.15K	-378.234925
HF Energy	-378.230863
Nuclear repulsion energy	234.049738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3743	3566	0.00
2	A_g	1893	1803	0.00
3	A_g	1477	1407	0.00
4	A_g	1227	1168	0.00
5	A_g	839	799	0.00
6	A_g	566	539	0.00
7	A_g	397	378	0.00
8	A_u	702	669	225.06
9	A_u	465	443	67.24
10	A_u	122	116	7.26
11	B_g	811	773	0.00
12	B_g	693	660	0.00
13	B_u	3747	3569	285.96
14	B_u	1907	1817	562.14
15	B_u	1349	1285	836.01
16	B_u	1228	1170	13.30
17	B_u	675	643	23.25
18	B_u	242	231	59.49

Atom	x (Å)	y (Å)
C1	-0.051	0.774
C2	0.051	-0.774
O3	1.119	1.379
O4	-1.119	-1.379
O5	-1.119	1.330
O6	1.119	-1.330
H7	1.820	0.707
H8	-1.820	-0.707

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5522	1.3180	2.4041	1.2038	2.4081	1.8723	2.3064
C2	1.5522		2.4041	1.3180	2.4081	1.2038	2.3064	1.8723
O3	1.3180	2.4041		3.5531	2.2395	2.7094	0.9711	3.6041
O4	2.4041	1.3180	3.5531		2.7094	2.2395	3.6041	0.9711
O5	1.2038	2.4081	2.2395	2.7094		3.4767	3.0044	2.1535
O6	2.4081	1.2038	2.7094	2.2395	3.4767		2.1535	3.0044
H7	1.8723	2.3064	0.9711	3.6041	3.0044	2.1535		3.9039
H8	2.3064	1.8723	3.6041	0.9711	2.1535	3.0044	3.9039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.526	C1	C2	O6	121.283
C1	O3	H7	108.808	C2	C1	O3	113.526
C2	C1	O5	121.283	C2	O4	H8	108.808
O3	C1	O5	125.190	O4	C2	O6	125.190

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

using model chemistry: wB97X-D/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	0.507
2	C	0.507
3	O	-0.417
4	O	-0.417
5	O	-0.477
6	O	-0.477
7	H	0.388
8	H	0.388

	x	y	z
x	6.092	-0.275	0.000
y	-0.275	4.520	0.000
z	0.000	0.000	2.355

<r²>	135.349
(<r²>)^1/2	11.634

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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