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	hartrees
Energy at 0K	-2701.452207
Energy at 298.15K	-2701.454672
HF Energy	-2701.452207
Nuclear repulsion energy	457.507171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3653	35.14
2	A	1086	1044	86.93
3	A	1014	975	44.65
4	A	735	707	68.77
5	A	359	345	70.46
6	A	336	323	1.49
7	A	267	257	2.40
8	A	178	171	78.35
9	B	3795	3649	216.67
10	B	1151	1106	139.39
11	B	1076	1035	71.66
12	B	743	714	142.56
13	B	362	348	61.84
14	B	348	335	45.51
15	B	290	279	30.93

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.131
O2	0.000	1.418	0.835
O3	0.000	-1.418	0.835
O4	1.331	0.023	-0.975
O5	-1.331	-0.023	-0.975
H6	1.596	-0.898	-1.112
H7	-1.596	0.898	-1.112

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5835	1.5835	1.7303	1.7303	2.2132	2.2132
O2	1.5835		2.8364	2.6446	2.6691	3.4212	2.5708
O3	1.5835	2.8364		2.6691	2.6446	2.5708	3.4212
O4	1.7303	2.6446	2.6691		2.6617	0.9683	3.0575
O5	1.7303	2.6691	2.6446	2.6617		3.0575	0.9683
H6	2.2132	3.4212	2.5708	0.9683	3.0575		3.6622
H7	2.2132	2.5708	3.4212	3.0575	0.9683	3.6622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.769	Se1	O5	H7	106.769
O2	Se1	O3	127.175	O2	Se1	O4	105.808
O2	Se1	O5	107.225	O3	Se1	O4	107.225
O3	Se1	O5	105.808	O4	Se1	O5	100.557

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

using model chemistry: B3PW91/6-31G(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	1.344
2	O	-0.484
3	O	-0.484
4	O	-0.541
5	O	-0.541
6	H	0.353
7	H	0.353

	x	y	z	Total
	0.000	0.000	-2.663	2.663
CHELPG
AIM
ESP

	x	y	z
x	5.233	-0.326	0.000
y	-0.326	5.748	0.000
z	0.000	0.000	5.083

<r²>	121.240
(<r²>)^1/2	11.011

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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