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	hartrees
Energy at 0K	-2700.711667
Energy at 298.15K	-2700.714047
HF Energy	-2700.711667
Nuclear repulsion energy	452.753517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3566	23.69
2	A	1156	1098	95.58
3	A	993	944	58.47
4	A	712	676	66.43
5	A	360	343	82.63
6	A	326	310	7.53
7	A	260	247	5.28
8	A	170	161	77.90
9	B	3750	3563	222.65
10	B	1196	1137	132.47
11	B	1065	1013	86.42
12	B	729	692	148.28
13	B	362	344	92.30
14	B	330	314	32.42
15	B	293	279	42.46

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.128
O2	0.000	1.429	0.851
O3	0.000	-1.429	0.851
O4	1.341	-0.010	-0.995
O5	-1.341	0.010	-0.995
H6	1.631	-0.939	-1.034
H7	-1.631	0.939	-1.034

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6011	1.6011	1.7495	1.7495	2.2120	2.2120
O2	1.6011		2.8578	2.6975	2.6864	3.4381	2.5399
O3	1.6011	2.8578		2.6864	2.6975	2.5399	3.4381
O4	1.7495	2.6975	2.6864		2.6829	0.9738	3.1203
O5	1.7495	2.6864	2.6975	2.6829		3.1203	0.9738
H6	2.2120	3.4381	2.5399	0.9738	3.1203		3.7637
H7	2.2120	2.5399	3.4381	3.1203	0.9738	3.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.037	Se1	O5	H7	105.037
O2	Se1	O3	126.361	O2	Se1	O4	107.154
O2	Se1	O5	106.517	O3	Se1	O4	106.517
O3	Se1	O5	107.154	O4	Se1	O5	100.130

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

using model chemistry: PBE1PBE/6-31G*

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	1.403
2	O	-0.529
3	O	-0.529
4	O	-0.628
5	O	-0.628
6	H	0.455
7	H	0.455

	x	y	z	Total
	0.000	0.000	-2.283	2.283
CHELPG
AIM
ESP

	x	y	z
x	4.788	-0.409	0.000
y	-0.409	5.558	0.000
z	0.000	0.000	4.629

<r²>	123.573
(<r²>)^1/2	11.116

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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