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	hartrees
Energy at 0K	-2690.466435
Energy at 298.15K	-2690.468428
HF Energy	-2690.466435
Nuclear repulsion energy	440.378653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3314	7.00
2	A	1090	1052	105.23
3	A	920	888	24.93
4	A	673	649	43.52
5	A	355	342	73.31
6	A	331	319	16.70
7	A	228	220	0.58
8	A	132	127	11.10
9	B	3435	3314	105.40
10	B	1084	1046	54.86
11	B	985	951	40.15
12	B	691	667	118.13
13	B	332	320	96.64
14	B	303	292	35.07
15	B	177	171	210.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.126
O2	-1.438	-0.100	0.938
O3	1.438	0.100	0.938
O4	0.000	1.295	-1.103
O5	0.000	-1.295	-1.103
H6	0.642	2.013	-0.824
H7	-0.642	-2.013	-0.824

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6548	1.6548	1.7851	1.7851	2.3168	2.3168
O2	1.6548		2.8835	2.8599	2.7681	3.4492	2.7205
O3	1.6548	2.8835		2.7681	2.8599	2.7205	3.4492
O4	1.7851	2.8599	2.7681		2.5895	1.0028	3.3810
O5	1.7851	2.7681	2.8599	2.5895		3.3810	1.0028
H6	2.3168	3.4492	2.7205	1.0028	3.3810		4.2259
H7	2.3168	2.7205	3.4492	3.3810	1.0028	4.2259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	109.163	Se1	O5	H7	109.163
O2	Se1	O3	121.217	O2	Se1	O4	112.430
O2	Se1	O5	107.107	O3	Se1	O4	107.107
O3	Se1	O5	112.430	O4	Se1	O5	92.990

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

using model chemistry: B3LYP/3-21G

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	1.722
2	O	-0.604
3	O	-0.604
4	O	-0.644
5	O	-0.644
6	H	0.387
7	H	0.387

	x	y	z	Total
	0.000	0.000	-0.984	0.984
CHELPG
AIM
ESP

	x	y	z
x	4.888	0.833	0.000
y	0.833	4.916	0.000
z	0.000	0.000	4.464

<r²>	129.723
(<r²>)^1/2	11.390

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

using model chemistry: B3LYP/3-21G

States and conformations

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