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	hartrees
Energy at 0K	-2701.653682
Energy at 298.15K	-2701.656200
HF Energy	-2701.653682
Nuclear repulsion energy	459.173824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3657	35.29
2	A	1093	1044	91.44
3	A	1028	982	44.03
4	A	752	718	68.89
5	A	365	349	72.91
6	A	340	324	1.96
7	A	271	259	3.15
8	A	181	173	78.54
9	B	3826	3653	230.41
10	B	1162	1109	142.43
11	B	1087	1038	73.63
12	B	759	725	143.77
13	B	368	351	68.24
14	B	352	336	43.83
15	B	294	281	31.75

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.130
O2	0.000	1.414	0.833
O3	0.000	-1.414	0.833
O4	1.324	0.019	-0.971
O5	-1.324	-0.019	-0.971
H6	1.596	-0.899	-1.101
H7	-1.596	0.899	-1.101

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5790	1.5790	1.7223	1.7223	2.2069	2.2069
O2	1.5790		2.8274	2.6371	2.6573	3.4113	2.5599
O3	1.5790	2.8274		2.6573	2.6371	2.5599	3.4113
O4	1.7223	2.6371	2.6573		2.6491	0.9661	3.0529
O5	1.7223	2.6573	2.6371	2.6491		3.0529	0.9661
H6	2.2069	3.4113	2.5599	0.9661	3.0529		3.6636
H7	2.2069	2.5599	3.4113	3.0529	0.9661	3.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.961	Se1	O5	H7	106.961
O2	Se1	O3	127.102	O2	Se1	O4	105.953
O2	Se1	O5	107.129	O3	Se1	O4	107.129
O3	Se1	O5	105.953	O4	Se1	O5	100.541

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	1.389
2	O	-0.500
3	O	-0.500
4	O	-0.549
5	O	-0.549
6	H	0.355
7	H	0.355

	x	y	z	Total
	0.000	0.000	-2.681	2.681
CHELPG
AIM
ESP

	x	y	z
x	5.158	-0.323	0.000
y	-0.323	5.669	0.000
z	0.000	0.000	5.008

<r²>	120.534
(<r²>)^1/2	10.979

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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