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	hartrees
Energy at 0K	-2700.779093
Energy at 298.15K	-2700.781434
HF Energy	-2700.779093
Nuclear repulsion energy	451.895603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3806	3636	42.98
2	A	1087	1038	79.34
3	A	974	931	62.99
4	A	690	659	78.61
5	A	354	338	83.02
6	A	328	313	6.28
7	A	257	245	0.83
8	A	176	168	88.63
9	B	3803	3633	242.88
10	B	1129	1079	139.73
11	B	1042	995	95.69
12	B	698	667	160.26
13	B	358	342	70.57
14	B	327	313	50.63
15	B	286	274	38.70

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.132
O2	0.000	1.432	0.848
O3	0.000	-1.432	0.848
O4	1.350	0.014	-0.989
O5	-1.350	-0.014	-0.989
H6	1.616	-0.911	-1.121
H7	-1.616	0.911	-1.121

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6012	1.6012	1.7547	1.7547	2.2390	2.2390
O2	1.6012		2.8640	2.6851	2.6995	3.4616	2.6004
O3	1.6012	2.8640		2.6995	2.6851	2.6004	3.4616
O4	1.7547	2.6851	2.6995		2.6998	0.9715	3.1016
O5	1.7547	2.6995	2.6851	2.6998		3.1016	0.9715
H6	2.2390	3.4616	2.6004	0.9715	3.1016		3.7106
H7	2.2390	2.6004	3.4616	3.1016	0.9715	3.7106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.885	Se1	O5	H7	106.885
O2	Se1	O3	126.852	O2	Se1	O4	106.193
O2	Se1	O5	107.021	O3	Se1	O4	107.021
O3	Se1	O5	106.193	O4	Se1	O5	100.585

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

using model chemistry: PBE1PBE/6-31+G**

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	1.398
2	O	-0.542
3	O	-0.542
4	O	-0.546
5	O	-0.546
6	H	0.388
7	H	0.388

	x	y	z	Total
	0.000	0.000	-2.642	2.642
CHELPG
AIM
ESP

	x	y	z
x	5.788	-0.238	0.000
y	-0.238	6.578	0.000
z	0.000	0.000	5.756

<r²>	124.766
(<r²>)^1/2	11.170

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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