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	hartrees
Energy at 0K	-2701.553317
Energy at 298.15K	-2701.555682
HF Energy	-2701.553317
Nuclear repulsion energy	453.574313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3563	24.18
2	A	1147	1089	96.10
3	A	994	944	58.72
4	A	714	678	66.79
5	A	359	341	83.69
6	A	325	308	7.40
7	A	258	245	5.01
8	A	168	159	78.14
9	B	3750	3560	223.66
10	B	1189	1129	133.49
11	B	1065	1011	84.63
12	B	732	695	149.97
13	B	360	342	93.32
14	B	328	311	34.12
15	B	291	276	40.61

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.128
O2	0.000	1.427	0.849
O3	0.000	-1.427	0.849
O4	1.338	-0.011	-0.993
O5	-1.338	0.011	-0.993
H6	1.628	-0.939	-1.035
H7	-1.628	0.939	-1.035

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5985	1.5985	1.7458	1.7458	2.2100	2.2100
O2	1.5985		2.8541	2.6927	2.6805	3.4344	2.5367
O3	1.5985	2.8541		2.6805	2.6927	2.5367	3.4344
O4	1.7458	2.6927	2.6805		2.6766	0.9726	3.1148
O5	1.7458	2.6805	2.6927	2.6766		3.1148	0.9726
H6	2.2100	3.4344	2.5367	0.9726	3.1148		3.7582
H7	2.2100	2.5367	3.4344	3.1148	0.9726	3.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.200	Se1	O5	H7	105.200
O2	Se1	O3	126.434	O2	Se1	O4	107.171
O2	Se1	O5	106.468	O3	Se1	O4	106.468
O3	Se1	O5	107.171	O4	Se1	O5	100.098

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

using model chemistry: B1B95/6-31G*

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	1.396
2	O	-0.526
3	O	-0.526
4	O	-0.624
5	O	-0.624
6	H	0.453
7	H	0.453

	x	y	z	Total
	0.000	0.000	-2.276	2.276
CHELPG
AIM
ESP

	x	y	z
x	4.765	-0.413	0.000
y	-0.413	5.541	0.000
z	0.000	0.000	4.605

<r²>	123.150
(<r²>)^1/2	11.097

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

using model chemistry: B1B95/6-31G*

States and conformations

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