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	hartrees
Energy at 0K	-378.305427
Energy at 298.15K	-378.309608
HF Energy	-378.305427
Nuclear repulsion energy	235.476864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3681	3529	0.00
2	A_g	1891	1813	0.00
3	A_g	1491	1429	0.00
4	A_g	1240	1189	0.00
5	A_g	849	814	0.00
6	A_g	573	550	0.00
7	A_g	419	401	0.00
8	A_u	729	699	240.02
9	A_u	467	447	62.22
10	A_u	133	127	6.13
11	B_g	836	801	0.00
12	B_g	720	691	0.00
13	B_u	3684	3531	215.01
14	B_u	1908	1829	485.39
15	B_u	1373	1316	899.38
16	B_u	1231	1180	8.80
17	B_u	683	654	25.20
18	B_u	279	267	55.21

Atom	x (Å)	y (Å)
C1	-0.053	0.766
C2	0.053	-0.766
O3	1.119	1.361
O4	-1.119	-1.361
O5	-1.119	1.312
O6	1.119	-1.312
H7	1.798	0.667
H8	-1.798	-0.667

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5361	1.3145	2.3798	1.1978	2.3860	1.8539	2.2586
C2	1.5361		2.3798	1.3145	2.3860	1.1978	2.2586	1.8539
O3	1.3145	2.3798		3.5246	2.2387	2.6735	0.9711	3.5534
O4	2.3798	1.3145	3.5246		2.6735	2.2387	3.5534	0.9711
O5	1.1978	2.3860	2.2387	2.6735		3.4490	2.9878	2.0927
O6	2.3860	1.1978	2.6735	2.2387	3.4490		2.0927	2.9878
H7	1.8539	2.2586	0.9711	3.5534	2.9878	2.0927		3.8363
H8	2.2586	1.8539	3.5534	0.9711	2.0927	2.9878	3.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.973	C1	C2	O6	121.064
C1	O3	H7	107.457	C2	C1	O3	112.973
C2	C1	O5	121.064	C2	O4	H8	107.457
O3	C1	O5	125.963	O4	C2	O6	125.963

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

using model chemistry: B1B95/6-311G*

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	0.359
2	C	0.359
3	O	-0.465
4	O	-0.465
5	O	-0.330
6	O	-0.330
7	H	0.436
8	H	0.436

	x	y	z
x	6.262	-0.307	0.000
y	-0.307	4.602	0.000
z	0.000	0.000	2.472

<r²>	133.308
(<r²>)^1/2	11.546

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

using model chemistry: B1B95/6-311G*

States and conformations

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