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	hartrees
Energy at 0K	-2703.747526
Energy at 298.15K	-2703.749861
HF Energy	-2703.747526
Nuclear repulsion energy	451.478938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3620	28.96
2	A	1075	1034	75.91
3	A	968	930	58.17
4	A	701	673	67.09
5	A	354	340	83.16
6	A	322	309	6.13
7	A	255	245	2.08
8	A	174	167	79.17
9	B	3763	3617	237.45
10	B	1124	1080	115.14
11	B	1036	996	81.61
12	B	712	684	149.29
13	B	358	344	73.98
14	B	329	316	47.98
15	B	273	263	36.44

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.134
O2	0.000	1.431	0.848
O3	0.000	-1.431	0.848
O4	1.350	0.008	-0.997
O5	-1.350	-0.008	-0.997
H6	1.619	-0.923	-1.085
H7	-1.619	0.923	-1.085

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5999	1.5999	1.7609	1.7609	2.2266	2.2266
O2	1.5999		2.8629	2.6930	2.7017	3.4496	2.5725
O3	1.5999	2.8629		2.7017	2.6930	2.5725	3.4496
O4	1.7609	2.6930	2.7017		2.7007	0.9728	3.1085
O5	1.7609	2.7017	2.6930	2.7007		3.1085	0.9728
H6	2.2266	3.4496	2.5725	0.9728	3.1085		3.7273
H7	2.2266	2.5725	3.4496	3.1085	0.9728	3.7273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.410	Se1	O5	H7	105.410
O2	Se1	O3	126.942	O2	Se1	O4	106.410
O2	Se1	O5	106.909	O3	Se1	O4	106.909
O3	Se1	O5	106.410	O4	Se1	O5	100.142

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

using model chemistry: B1B95/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	1.297
2	O	-0.490
3	O	-0.490
4	O	-0.362
5	O	-0.362
6	H	0.203
7	H	0.203

	x	y	z	Total
	0.000	0.000	-2.328	2.328
CHELPG
AIM
ESP

	x	y	z
x	4.688	-0.401	0.000
y	-0.401	5.499	0.000
z	0.000	0.000	4.514

<r²>	124.170
(<r²>)^1/2	11.143

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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