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	hartrees
Energy at 0K	-2704.713107
Energy at 298.15K	-2704.715238
HF Energy	-2704.713107
Nuclear repulsion energy	448.456857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3686	3638	33.90
2	A	1076	1062	62.19
3	A	926	914	54.16
4	A	617	609	74.35
5	A	336	332	46.70
6	A	313	309	8.81
7	A	244	241	0.43
8	A	159	156	76.24
9	B	3683	3635	170.69
10	B	1116	1101	110.86
11	B	993	981	93.24
12	B	629	621	147.35
13	B	340	336	38.32
14	B	319	315	37.72
15	B	266	262	37.55

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.133
O2	0.000	1.430	0.860
O3	0.000	-1.430	0.860
O4	1.372	0.031	-1.000
O5	-1.372	-0.031	-1.000
H6	1.619	-0.900	-1.144
H7	-1.619	0.900	-1.144

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6035	1.6035	1.7803	1.7803	2.2504	2.2504
O2	1.6035		2.8592	2.7018	2.7340	3.4733	2.6305
O3	1.6035	2.8592		2.7340	2.7018	2.6305	3.4733
O4	1.7803	2.7018	2.7340		2.7455	0.9732	3.1186
O5	1.7803	2.7340	2.7018	2.7455		3.1186	0.9732
H6	2.2504	3.4733	2.6305	0.9732	3.1186		3.7048
H7	2.2504	2.6305	3.4733	3.1186	0.9732	3.7048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	108.472	Se1	O5	H7	108.472
O2	Se1	O3	125.284	O2	Se1	O4	106.896
O2	Se1	O5	107.195	O3	Se1	O4	107.195
O3	Se1	O5	106.896	O4	Se1	O5	100.734

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	1.978
2	O	-0.629
3	O	-0.629
4	O	-0.609
5	O	-0.609
6	H	0.248
7	H	0.248

	x	y	z	Total
	0.000	0.000	-2.514	2.514
CHELPG
AIM
ESP

	x	y	z
x	6.757	-0.236	0.000
y	-0.236	7.252	0.000
z	0.000	0.000	6.671

<r²>	126.126
(<r²>)^1/2	11.231

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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