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	hartrees
Energy at 0K	-2699.609093
Energy at 298.15K	-2699.611338
HF Energy	-2699.609093
Nuclear repulsion energy	454.507363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3608	26.66
2	A	1042	1030	94.49
3	A	974	964	42.01
4	A	689	681	71.08
5	A	346	342	54.23
6	A	318	314	11.35
7	A	250	248	6.15
8	A	150	149	72.36
9	B	3644	3604	245.87
10	B	1104	1092	129.06
11	B	1025	1014	79.52
12	B	703	695	150.82
13	B	348	344	52.35
14	B	319	316	45.62
15	B	271	268	41.41

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.127
O2	0.000	1.420	0.846
O3	0.000	-1.420	0.846
O4	1.342	-0.001	-0.988
O5	-1.342	0.001	-0.988
H6	1.644	-0.933	-1.032
H7	-1.644	0.933	-1.032

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5913	1.5913	1.7447	1.7447	2.2177	2.2177
O2	1.5913		2.8399	2.6798	2.6787	3.4303	2.5428
O3	1.5913	2.8399		2.6787	2.6798	2.5428	3.4303
O4	1.7447	2.6798	2.6787		2.6838	0.9810	3.1288
O5	1.7447	2.6787	2.6798	2.6838		3.1288	0.9810
H6	2.2177	3.4303	2.5428	0.9810	3.1288		3.7806
H7	2.2177	2.5428	3.4303	3.1288	0.9810	3.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.446	Se1	O5	H7	105.446
O2	Se1	O3	126.329	O2	Se1	O4	106.801
O2	Se1	O5	106.738	O3	Se1	O4	106.738
O3	Se1	O5	106.801	O4	Se1	O5	100.547

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

using model chemistry: LSDA/cc-pVTZ

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	0.977
2	O	-0.417
3	O	-0.417
4	O	-0.299
5	O	-0.299
6	H	0.227
7	H	0.227

	x	y	z	Total
	0.000	0.000	-2.376	2.376
CHELPG
AIM
ESP

	x	y	z
x	5.676	-0.379	0.000
y	-0.379	6.376	0.000
z	0.000	0.000	5.532

<r²>	123.028
(<r²>)^1/2	11.092

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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