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	hartrees
Energy at 0K	-2701.797823
Energy at 298.15K	-2701.800340
HF Energy	-2701.797823
Nuclear repulsion energy	460.028770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3669	35.97
2	A	1083	1037	96.01
3	A	1033	989	40.59
4	A	758	726	69.42
5	A	365	350	75.37
6	A	339	325	1.55
7	A	270	259	2.92
8	A	181	173	77.42
9	B	3827	3665	233.25
10	B	1161	1112	139.36
11	B	1084	1038	76.52
12	B	765	733	145.39
13	B	367	352	73.19
14	B	351	336	44.12
15	B	294	282	28.30

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.130
O2	0.000	1.412	0.830
O3	0.000	-1.412	0.830
O4	1.321	0.017	-0.969
O5	-1.321	-0.017	-0.969
H6	1.592	-0.900	-1.101
H7	-1.592	0.900	-1.101

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5764	1.5764	1.7185	1.7185	2.2044	2.2044
O2	1.5764		2.8245	2.6323	2.6510	3.4073	2.5549
O3	1.5764	2.8245		2.6510	2.6323	2.5549	3.4073
O4	1.7185	2.6323	2.6510		2.6420	0.9655	3.0468
O5	1.7185	2.6510	2.6323	2.6420		3.0468	0.9655
H6	2.2044	3.4073	2.5549	0.9655	3.0468		3.6580
H7	2.2044	2.5549	3.4073	3.0468	0.9655	3.6580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	107.068	Se1	O5	H7	107.068
O2	Se1	O3	127.237	O2	Se1	O4	105.968
O2	Se1	O5	107.057	O3	Se1	O4	107.057
O3	Se1	O5	105.968	O4	Se1	O5	100.471

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

using model chemistry: B1B95/6-31G(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	1.356
2	O	-0.491
3	O	-0.491
4	O	-0.538
5	O	-0.538
6	H	0.351
7	H	0.351

	x	y	z	Total
	0.000	0.000	-2.664	2.664
CHELPG
AIM
ESP

	x	y	z
x	5.130	-0.331	0.000
y	-0.331	5.651	0.000
z	0.000	0.000	4.979

<r²>	120.138
(<r²>)^1/2	10.961

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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