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	hartrees
Energy at 0K	-2672.788088
Energy at 298.15K	-2672.789016
HF Energy	-2672.788088
Nuclear repulsion energy	420.420802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3277	6.40
2	A	1240	1095	18.24
3	A	729	644	24.96
4	A	592	523	11.63
5	A	280	247	50.46
6	A	203	179	6.02
7	A	143	127	0.06
8	A	143	126	15.50
9	B	3712	3278	36.85
10	B	1262	1114	31.50
11	B	803	709	12.30
12	B	606	535	46.81
13	B	273	241	57.02
14	B	216	191	6.09
15	B	185	163	13.50

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.184
O2	0.000	1.587	0.833
O3	0.000	-1.587	0.833
O4	1.422	-0.053	-1.094
O5	-1.422	0.053	-1.094
H6	1.630	-1.060	-1.038
H7	-1.630	1.060	-1.038

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.7152	1.7152	1.9120	1.9120	2.2961	2.2961
O2	1.7152		3.1747	2.9029	2.8441	3.6285	2.5370
O3	1.7152	3.1747		2.8441	2.9029	2.5370	3.6285
O4	1.9120	2.9029	2.8441		2.8457	1.0295	3.2491
O5	1.9120	2.8441	2.9029	2.8457		3.2491	1.0295
H6	2.2961	3.6285	2.5370	1.0295	3.2491		3.8888
H7	2.2961	2.5370	3.6285	3.2491	1.0295	3.8888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	98.123	Se1	O5	H7	98.123
O2	Se1	O3	135.468	O2	Se1	O4	106.194
O2	Se1	O5	103.140	O3	Se1	O4	103.140
O3	Se1	O5	106.194	O4	Se1	O5	96.175

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

using model chemistry: B1B95/STO-3G

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	0.897
2	O	-0.329
3	O	-0.329
4	O	-0.285
5	O	-0.285
6	H	0.166
7	H	0.166

	x	y	z	Total
	0.000	0.000	-0.594	0.594
CHELPG
AIM
ESP

	x	y	z
x	3.689	-0.869	0.000
y	-0.869	4.873	0.000
z	0.000	0.000	3.185

<r²>	137.347
(<r²>)^1/2	11.720

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

using model chemistry: B1B95/STO-3G

States and conformations

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