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	hartrees
Energy at 0K	-2704.798548
Energy at 298.15K	-2704.800698
HF Energy	-2704.798548
Nuclear repulsion energy	448.051087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3609	33.94
2	A	1076	1060	62.39
3	A	924	910	54.42
4	A	620	611	73.77
5	A	336	331	47.64
6	A	314	309	9.11
7	A	245	241	0.36
8	A	163	161	72.22
9	B	3662	3606	168.77
10	B	1116	1099	110.49
11	B	991	976	93.91
12	B	631	621	146.02
13	B	339	334	36.96
14	B	320	315	40.20
15	B	267	263	34.59

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.134
O2	0.000	1.432	0.861
O3	0.000	-1.432	0.861
O4	1.372	0.033	-1.002
O5	-1.372	-0.033	-1.002
H6	1.619	-0.898	-1.147
H7	-1.619	0.898	-1.147

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6054	1.6054	1.7815	1.7815	2.2512	2.2512
O2	1.6054		2.8632	2.7032	2.7382	3.4752	2.6338
O3	1.6054	2.8632		2.7382	2.7032	2.6338	3.4752
O4	1.7815	2.7032	2.7382		2.7442	0.9740	3.1166
O5	1.7815	2.7382	2.7032	2.7442		3.1166	0.9740
H6	2.2512	3.4752	2.6338	0.9740	3.1166		3.7026
H7	2.2512	2.6338	3.4752	3.1166	0.9740	3.7026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.809	Se1	O5	H7	105.809
O2	Se1	O3	126.180	O2	Se1	O4	105.785
O2	Se1	O5	107.776	O3	Se1	O4	107.776
O3	Se1	O5	105.785	O4	Se1	O5	100.742

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

using model chemistry: B97D3/aug-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	2.361
2	O	-0.824
3	O	-0.824
4	O	-0.526
5	O	-0.526
6	H	0.170
7	H	0.170

	x	y	z	Total
	0.000	0.000	-2.502	2.502
CHELPG
AIM
ESP

	x	y	z
x	6.909	-0.259	0.000
y	-0.259	7.385	0.000
z	0.000	0.000	6.817

<r²>	126.293
(<r²>)^1/2	11.238

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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