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	hartrees
Energy at 0K	-2702.919010
Energy at 298.15K	-2702.921013
HF Energy	-2702.919010
Nuclear repulsion energy	440.751015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3613	3591	32.80
2	A	1058	1051	62.37
3	A	892	887	53.18
4	A	608	604	64.93
5	A	320	318	56.82
6	A	303	301	4.53
7	A	223	222	1.26
8	A	155	154	60.23
9	B	3610	3588	169.48
10	B	1097	1090	103.75
11	B	960	955	92.85
12	B	618	614	135.20
13	B	322	320	44.72
14	B	303	301	42.58
15	B	267	266	20.18

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		2.9269	2.7474	2.7779	3.5147	2.6448
O3	1.6333	2.9269		2.7779	2.7474	2.6448	3.5147
O4	1.8121	2.7474	2.7779		2.7864	0.9835	3.1658
O5	1.8121	2.7779	2.7474	2.7864		3.1658	0.9835
H6	2.2716	3.5147	2.6448	0.9835	3.1658		3.7634
H7	2.2716	2.6448	3.5147	3.1658	0.9835	3.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	104.776	Se1	O5	H7	104.776
O2	Se1	O3	127.276	O2	Se1	O4	105.647
O2	Se1	O5	107.348	O3	Se1	O4	107.348
O3	Se1	O5	105.647	O4	Se1	O5	100.496

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

using model chemistry: PBEPBE/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	-2.279	2.279
CHELPG
AIM
ESP

	x	y	z
x	7.162	-0.285	0.000
y	-0.285	7.715	0.000
z	0.000	0.000	7.013

<r²>	129.939
(<r²>)^1/2	11.399

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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