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	hartrees
Energy at 0K	-2703.615360
Energy at 298.15K	-2703.617767
HF Energy	-2703.615360
Nuclear repulsion energy	454.576691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3779	3634	33.56
2	A	1094	1052	77.06
3	A	982	945	55.02
4	A	700	673	74.92
5	A	361	347	63.43
6	A	330	317	10.57
7	A	264	254	2.52
8	A	176	170	79.63
9	B	3776	3631	227.75
10	B	1140	1096	129.03
11	B	1048	1008	82.71
12	B	710	683	154.60
13	B	363	349	60.69
14	B	338	325	41.04
15	B	277	267	41.09

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.128
O2	0.000	1.415	0.853
O3	0.000	-1.415	0.853
O4	1.343	0.014	-0.987
O5	-1.343	-0.014	-0.987
H6	1.626	-0.906	-1.095
H7	-1.626	0.906	-1.095

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5899	1.5899	1.7456	1.7456	2.2274	2.2274
O2	1.5899		2.8298	2.6744	2.6889	3.4390	2.5880
O3	1.5899	2.8298		2.6889	2.6744	2.5880	3.4390
O4	1.7456	2.6744	2.6889		2.6866	0.9686	3.1025
O5	1.7456	2.6889	2.6744	2.6866		3.1025	0.9686
H6	2.2274	3.4390	2.5880	0.9686	3.1025		3.7233
H7	2.2274	2.5880	3.4390	3.1025	0.9686	3.7233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.777	Se1	O5	H7	106.777
O2	Se1	O3	125.735	O2	Se1	O4	106.513
O2	Se1	O5	107.351	O3	Se1	O4	107.351
O3	Se1	O5	106.513	O4	Se1	O5	100.626

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

using model chemistry: B3PW91/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	Se	1.158
2	O	-0.470
3	O	-0.470
4	O	-0.330
5	O	-0.330
6	H	0.221
7	H	0.221

	x	y	z	Total
	0.000	0.000	-2.646	2.646
CHELPG
AIM
ESP

	x	y	z
x	5.447	-0.311	0.000
y	-0.311	6.139	0.000
z	0.000	0.000	5.370

<r²>	123.039
(<r²>)^1/2	11.092

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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