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	hartrees
Energy at 0K	-2701.476208
Energy at 298.15K	-2701.478541
HF Energy	-2701.476208
Nuclear repulsion energy	451.743251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3627	43.68
2	A	1088	1036	77.73
3	A	971	924	63.34
4	A	687	654	78.96
5	A	353	336	83.10
6	A	327	312	6.36
7	A	257	244	0.68
8	A	176	167	89.52
9	B	3807	3623	242.13
10	B	1130	1075	138.03
11	B	1039	989	95.47
12	B	695	662	160.55
13	B	358	340	69.20
14	B	327	311	50.59
15	B	285	271	40.08

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.132
O2	0.000	1.432	0.849
O3	0.000	-1.432	0.849
O4	1.350	0.015	-0.989
O5	-1.350	-0.015	-0.989
H6	1.616	-0.909	-1.127
H7	-1.616	0.909	-1.127

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6014	1.6014	1.7556	1.7556	2.2411	2.2411
O2	1.6014		2.8641	2.6857	2.7012	3.4634	2.6055
O3	1.6014	2.8641		2.7012	2.6857	2.6055	3.4634
O4	1.7556	2.6857	2.7012		2.7009	0.9707	3.1012
O5	1.7556	2.7012	2.6857	2.7009		3.1012	0.9707
H6	2.2411	3.4634	2.6055	0.9707	3.1012		3.7081
H7	2.2411	2.6055	3.4634	3.1012	0.9707	3.7081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	107.029	Se1	O5	H7	107.029
O2	Se1	O3	126.820	O2	Se1	O4	106.174
O2	Se1	O5	107.065	O3	Se1	O4	107.065
O3	Se1	O5	106.174	O4	Se1	O5	100.568

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

using model chemistry: mPW1PW91/6-31+G**

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	1.395
2	O	-0.540
3	O	-0.540
4	O	-0.547
5	O	-0.547
6	H	0.390
7	H	0.390

	x	y	z	Total
	0.000	0.000	-2.655	2.655
CHELPG
AIM
ESP

	x	y	z
x	5.774	-0.235	0.000
y	-0.235	6.566	0.000
z	0.000	0.000	5.745

<r²>	124.814
(<r²>)^1/2	11.172

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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