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	hartrees
Energy at 0K	-2703.887436
Energy at 298.15K	-2703.889830
HF Energy	-2703.887436
Nuclear repulsion energy	454.907972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3637	48.93
2	A	1081	1034	70.51
3	A	970	928	67.39
4	A	690	660	82.10
5	A	361	346	96.02
6	A	329	315	4.97
7	A	264	253	0.01
8	A	189	181	84.25
9	B	3797	3633	224.91
10	B	1125	1077	128.06
11	B	1041	996	96.01
12	B	699	669	165.49
13	B	359	344	78.27
14	B	334	319	46.36
15	B	278	266	42.57

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.135
O2	0.000	1.422	0.840
O3	0.000	-1.422	0.840
O4	1.342	0.023	-0.981
O5	-1.342	-0.023	-0.981
H6	1.586	-0.895	-1.163
H7	-1.586	0.895	-1.163

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5875	1.5875	1.7457	1.7457	2.2367	2.2367
O2	1.5875		2.8449	2.6601	2.6845	3.4496	2.6090
O3	1.5875	2.8449		2.6845	2.6601	2.6090	3.4496
O4	1.7457	2.6601	2.6845		2.6843	0.9673	3.0607
O5	1.7457	2.6845	2.6601	2.6843		3.0607	0.9673
H6	2.2367	3.4496	2.6090	0.9673	3.0607		3.6427
H7	2.2367	2.6090	3.4496	3.0607	0.9673	3.6427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	107.577	Se1	O5	H7	107.577
O2	Se1	O3	127.281	O2	Se1	O4	105.794
O2	Se1	O5	107.198	O3	Se1	O4	107.198
O3	Se1	O5	105.794	O4	Se1	O5	100.495

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

using model chemistry: B1B95/TZVP

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	1.038
2	O	-0.454
3	O	-0.454
4	O	-0.386
5	O	-0.386
6	H	0.321
7	H	0.321

	x	y	z	Total
	0.000	0.000	-2.718	2.718
CHELPG
AIM
ESP

	x	y	z
x	5.226	-0.284	0.000
y	-0.284	6.172	0.000
z	0.000	0.000	5.201

<r²>	123.316
(<r²>)^1/2	11.105

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

using model chemistry: B1B95/TZVP

States and conformations

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