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	hartrees
Energy at 0K	-2703.586504
Energy at 298.15K	-2703.588689
HF Energy	-2703.586504
Nuclear repulsion energy	445.500754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3620	38.45
2	A	1100	1067	66.25
3	A	911	884	57.49
4	A	650	630	68.27
5	A	337	327	64.97
6	A	313	304	8.28
7	A	241	234	1.93
8	A	168	163	67.94
9	B	3726	3616	214.83
10	B	1135	1102	111.73
11	B	979	950	92.31
12	B	659	640	142.26
13	B	338	328	58.12
14	B	316	307	38.29
15	B	272	264	31.83

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.135
O2	0.000	1.448	0.863
O3	0.000	-1.448	0.863
O4	1.370	0.022	-1.009
O5	-1.370	-0.022	-1.009
H6	1.646	-0.903	-1.134
H7	-1.646	0.903	-1.134

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6203	1.6203	1.7856	1.7856	2.2664	2.2664
O2	1.6203		2.8958	2.7227	2.7465	3.4964	2.6444
O3	1.6203	2.8958		2.7465	2.7227	2.6444	3.4964
O4	1.7856	2.7227	2.7465		2.7414	0.9740	3.1446
O5	1.7856	2.7465	2.7227	2.7414		3.1446	0.9740
H6	2.2664	3.4964	2.6444	0.9740	3.1446		3.7544
H7	2.2664	2.6444	3.4964	3.1446	0.9740	3.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	106.698	Se1	O5	H7	106.698
O2	Se1	O3	126.659	O2	Se1	O4	106.047
O2	Se1	O5	107.392	O3	Se1	O4	107.392
O3	Se1	O5	106.047	O4	Se1	O5	100.283

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

using model chemistry: B3LYP/aug-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	2.346
2	O	-0.773
3	O	-0.773
4	O	-0.533
5	O	-0.533
6	H	0.133
7	H	0.133

	x	y	z	Total
	0.000	0.000	-2.502	2.502
CHELPG
AIM
ESP

	x	y	z
x	6.672	-0.272	0.000
y	-0.272	7.278	0.000
z	0.000	0.000	6.580

<r²>	127.800
(<r²>)^1/2	11.305

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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