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	hartrees
Energy at 0K	-2702.930948
Energy at 298.15K	-2702.932987
HF Energy	-2702.930948
Nuclear repulsion energy	442.548774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3612	30.52
2	A	1058	1048	65.59
3	A	892	884	53.00
4	A	595	589	65.63
5	A	327	324	75.22
6	A	306	303	1.62
7	A	229	227	0.03
8	A	172	170	71.73
9	B	3642	3609	160.49
10	B	1098	1088	93.56
11	B	963	955	85.31
12	B	609	604	137.16
13	B	329	326	55.31
14	B	311	308	44.51
15	B	260	258	27.04

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.142
O2	0.000	1.455	0.858
O3	0.000	-1.455	0.858
O4	1.393	0.026	-1.017
O5	-1.393	-0.026	-1.017
H6	1.619	-0.920	-1.137
H7	-1.619	0.920	-1.137

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6213	1.6213	1.8116	1.8116	2.2593	2.2593
O2	1.6213		2.9091	2.7376	2.7649	3.4986	2.6246
O3	1.6213	2.9091		2.7649	2.7376	2.6246	3.4986
O4	1.8116	2.7376	2.7649		2.7860	0.9799	3.1443
O5	1.8116	2.7649	2.7376	2.7860		3.1443	0.9799
H6	2.2593	3.4986	2.6246	0.9799	3.1443		3.7248
H7	2.2593	2.6246	3.4986	3.1443	0.9799	3.7248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	104.049	Se1	O5	H7	104.049
O2	Se1	O3	127.573	O2	Se1	O4	105.641
O2	Se1	O5	107.171	O3	Se1	O4	107.171
O3	Se1	O5	105.641	O4	Se1	O5	100.513

All results from a given calculation for H₂SeO₄ (Selenic acid)

using model chemistry: PBEPBE/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	Se	1.046
2	O	-0.416
3	O	-0.416
4	O	-0.385
5	O	-0.385
6	H	0.278
7	H	0.278

	x	y	z	Total
	0.000	0.000	-2.217	2.217
CHELPG
AIM
ESP

	x	y	z
x	5.556	-0.381	0.000
y	-0.381	6.264	0.000
z	0.000	0.000	5.363

<r²>	128.649
(<r²>)^1/2	11.342

All results from a given calculation for H2SeO4 (Selenic acid)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for H₂SeO₄ (Selenic acid)