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	hartrees
Energy at 0K	-2702.919014
Energy at 298.15K	-2702.921013
HF Energy	-2702.919014
Nuclear repulsion energy	440.756054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3588	32.75
2	A	1058	1052	62.29
3	A	894	889	53.07
4	A	610	606	64.87
5	A	319	318	56.58
6	A	303	301	4.57
7	A	224	222	1.19
8	A	152	151	60.82
9	B	3607	3585	169.52
10	B	1097	1090	104.21
11	B	962	956	92.69
12	B	620	616	134.85
13	B	321	319	46.65
14	B	303	301	40.68
15	B	265	264	20.30

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.139
O2	0.000	1.463	0.865
O3	0.000	-1.463	0.865
O4	1.393	0.029	-1.019
O5	-1.393	-0.029	-1.019
H6	1.644	-0.915	-1.133
H7	-1.644	0.915	-1.133

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6333	1.6333	1.8121	1.8121	2.2716	2.2716
O2	1.6333		2.9268	2.7473	2.7779	3.5145	2.6447
O3	1.6333	2.9268		2.7779	2.7473	2.6447	3.5145
O4	1.8121	2.7473	2.7779		2.7863	0.9836	3.1658
O5	1.8121	2.7779	2.7473	2.7863		3.1658	0.9836
H6	2.2716	3.5145	2.6447	0.9836	3.1658		3.7637
H7	2.2716	2.6447	3.5145	3.1658	0.9836	3.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	104.775	Se1	O5	H7	104.775
O2	Se1	O3	127.276	O2	Se1	O4	105.647
O2	Se1	O5	107.351	O3	Se1	O4	107.351
O3	Se1	O5	105.647	O4	Se1	O5	100.490

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	2.137
2	O	-0.720
3	O	-0.720
4	O	-0.504
5	O	-0.504
6	H	0.156
7	H	0.156

	x	y	z	Total
	0.000	0.000	-2.278	2.278
CHELPG
AIM
ESP

	x	y	z
x	7.162	-0.285	0.000
y	-0.285	7.714	0.000
z	0.000	0.000	7.013

<r²>	129.936
(<r²>)^1/2	11.399

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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