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	hartrees
Energy at 0K	-378.231326
Energy at 298.15K	-378.235422
HF Energy	-378.231326
Nuclear repulsion energy	234.656765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3703	3542	0.00
2	A_g	1885	1804	0.00
3	A_g	1476	1412	0.00
4	A_g	1227	1173	0.00
5	A_g	844	807	0.00
6	A_g	565	540	0.00
7	A_g	408	390	0.00
8	A_u	708	677	218.50
9	A_u	464	444	63.52
10	A_u	127	121	7.12
11	B_g	812	777	0.00
12	B_g	699	669	0.00
13	B_u	3707	3546	288.70
14	B_u	1904	1821	538.94
15	B_u	1349	1290	827.92
16	B_u	1228	1174	15.05
17	B_u	671	642	22.87
18	B_u	263	251	56.46

Atom	x (Å)	y (Å)
C1	-0.050	0.767
C2	0.050	-0.767
O3	1.122	1.368
O4	-1.122	-1.368
O5	-1.122	1.317
O6	1.122	-1.317
H7	1.806	0.674
H8	-1.806	-0.674

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5374	1.3168	2.3891	1.2050	2.3913	1.8581	2.2715
C2	1.5374		2.3891	1.3168	2.3913	1.2050	2.2715	1.8581
O3	1.3168	2.3891		3.5383	2.2442	2.6854	0.9745	3.5693
O4	2.3891	1.3168	3.5383		2.6854	2.2442	3.5693	0.9745
O5	1.2050	2.3913	2.2442	2.6854		3.4607	2.9976	2.1055
O6	2.3913	1.2050	2.6854	2.2442	3.4607		2.1055	2.9976
H7	1.8581	2.2715	0.9745	3.5693	2.9976	2.1055		3.8549
H8	2.2715	1.8581	3.5693	0.9745	2.1055	2.9976	3.8549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.430	C1	C2	O6	120.899
C1	O3	H7	107.425	C2	C1	O3	113.430
C2	C1	O5	120.899	C2	O4	H8	107.425
O3	C1	O5	125.672	O4	C2	O6	125.672

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

using model chemistry: B1B95/6-31+G**

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	0.497
2	C	0.497
3	O	-0.409
4	O	-0.409
5	O	-0.472
6	O	-0.472
7	H	0.383
8	H	0.383

	x	y	z
x	7.100	-0.371	0.000
y	-0.371	5.566	0.000
z	0.000	0.000	3.260

<r²>	134.486
(<r²>)^1/2	11.597

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

using model chemistry: B1B95/6-31+G**

States and conformations

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