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	hartrees
Energy at 0K	-2699.374468
Energy at 298.15K	-2699.376620
HF Energy	-2699.374468
Nuclear repulsion energy	448.741477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3602	3563	17.25
2	A	1031	1019	90.13
3	A	946	936	43.92
4	A	673	665	60.37
5	A	334	331	70.39
6	A	310	306	6.36
7	A	240	237	8.21
8	A	149	148	62.23
9	B	3599	3559	225.09
10	B	1087	1075	105.99
11	B	1004	993	85.13
12	B	690	683	141.24
13	B	339	336	59.94
14	B	309	305	53.86
15	B	273	270	35.71

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.133
O2	0.000	1.443	0.847
O3	0.000	-1.443	0.847
O4	1.359	-0.014	-1.005
O5	-1.359	0.014	-1.005
H6	1.656	-0.956	-0.991
H7	-1.656	0.956	-0.991

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6105	1.6105	1.7722	1.7722	2.2174	2.2174
O2	1.6105		2.8870	2.7202	2.7055	3.4460	2.5211
O3	1.6105	2.8870		2.7055	2.7202	2.5211	3.4460
O4	1.7722	2.7202	2.7055		2.7173	0.9878	3.1664
O5	1.7722	2.7055	2.7202	2.7173		3.1664	0.9878
H6	2.2174	3.4460	2.5211	0.9878	3.1664		3.8235
H7	2.2174	2.5211	3.4460	3.1664	0.9878	3.8235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	103.216	Se1	O5	H7	103.216
O2	Se1	O3	127.346	O2	Se1	O4	106.962
O2	Se1	O5	106.126	O3	Se1	O4	106.126
O3	Se1	O5	106.962	O4	Se1	O5	100.111

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

using model chemistry: LSDA/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	1.044
2	O	-0.416
3	O	-0.416
4	O	-0.322
5	O	-0.322
6	H	0.216
7	H	0.216

	x	y	z	Total
	0.000	0.000	-1.940	1.940
CHELPG
AIM
ESP

	x	y	z
x	4.994	-0.518	0.000
y	-0.518	5.769	0.000
z	0.000	0.000	4.691

<r²>	125.194
(<r²>)^1/2	11.189

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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