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	hartrees
Energy at 0K	-2703.134791
Energy at 298.15K	-2703.137239
HF Energy	-2703.134791
Nuclear repulsion energy	455.941053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3651	33.84
2	A	1100	1057	81.00
3	A	993	955	54.86
4	A	715	688	74.53
5	A	366	352	65.56
6	A	332	319	10.37
7	A	268	258	3.04
8	A	177	170	80.39
9	B	3795	3648	240.09
10	B	1147	1102	133.75
11	B	1059	1018	82.44
12	B	725	697	155.19
13	B	368	354	64.88
14	B	341	328	40.66
15	B	279	268	42.31

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.127
O2	0.000	1.412	0.851
O3	0.000	-1.412	0.851
O4	1.338	0.011	-0.984
O5	-1.338	-0.011	-0.984
H6	1.626	-0.907	-1.087
H7	-1.626	0.907	-1.087

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5865	1.5865	1.7385	1.7385	2.2219	2.2219
O2	1.5865		2.8232	2.6678	2.6792	3.4309	2.5788
O3	1.5865	2.8232		2.6792	2.6678	2.5788	3.4309
O4	1.7385	2.6678	2.6792		2.6752	0.9673	3.0973
O5	1.7385	2.6792	2.6678	2.6752		3.0973	0.9673
H6	2.2219	3.4309	2.5788	0.9673	3.0973		3.7228
H7	2.2219	2.5788	3.4309	3.0973	0.9673	3.7228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.921	Se1	O5	H7	106.921
O2	Se1	O3	125.693	O2	Se1	O4	106.619
O2	Se1	O5	107.280	O3	Se1	O4	107.280
O3	Se1	O5	106.619	O4	Se1	O5	100.598

All results from a given calculation for H₂SeO₄ (Selenic 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	Se	1.159
2	O	-0.473
3	O	-0.473
4	O	-0.333
5	O	-0.333
6	H	0.226
7	H	0.226

	x	y	z	Total
	0.000	0.000	-2.666	2.666
CHELPG
AIM
ESP

	x	y	z
x	5.380	-0.315	0.000
y	-0.315	6.060	0.000
z	0.000	0.000	5.301

<r²>	122.478
(<r²>)^1/2	11.067

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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