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	hartrees
Energy at 0K	-378.114248
Energy at 298.15K	-378.118423
HF Energy	-378.114248
Nuclear repulsion energy	235.347142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3660	3518	0.00
2	A_g	1870	1797	0.00
3	A_g	1476	1419	0.00
4	A_g	1240	1192	0.00
5	A_g	844	811	0.00
6	A_g	572	550	0.00
7	A_g	407	391	0.00
8	A_u	735	706	183.09
9	A_u	470	451	47.08
10	A_u	131	126	6.44
11	B_g	850	817	0.00
12	B_g	734	705	0.00
13	B_u	3665	3522	270.16
14	B_u	1893	1819	477.81
15	B_u	1358	1306	826.53
16	B_u	1232	1184	3.86
17	B_u	681	654	21.79
18	B_u	260	250	58.70

Atom	x (Å)	y (Å)
C1	-0.053	0.766
C2	0.053	-0.766
O3	1.120	1.363
O4	-1.120	-1.363
O5	-1.120	1.314
O6	1.120	-1.314
H7	1.788	0.655
H8	-1.788	-0.655

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5348	1.3160	2.3806	1.1995	2.3876	1.8447	2.2424
C2	1.5348		2.3806	1.3160	2.3876	1.1995	2.2424	1.8447
O3	1.3160	2.3806		3.5274	2.2399	2.6768	0.9739	3.5392
O4	2.3806	1.3160	3.5274		2.6768	2.2399	3.5392	0.9739
O5	1.1995	2.3876	2.2399	2.6768		3.4530	2.9820	2.0792
O6	2.3876	1.1995	2.6768	2.2399	3.4530		2.0792	2.9820
H7	1.8447	2.2424	0.9739	3.5392	2.9820	2.0792		3.8088
H8	2.2424	1.8447	3.5392	0.9739	2.0792	2.9820	3.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.020	C1	C2	O6	121.181
C1	O3	H7	106.378	C2	C1	O3	113.020
C2	C1	O5	121.181	C2	O4	H8	106.378
O3	C1	O5	125.799	O4	C2	O6	125.799

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.231
2	C	0.231
3	O	-0.181
4	O	-0.181
5	O	-0.283
6	O	-0.283
7	H	0.233
8	H	0.233

	x	y	z
x	6.656	-0.275	0.000
y	-0.275	5.365	0.000
z	0.000	0.000	3.095

<r²>	133.304
(<r²>)^1/2	11.546

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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