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	hartrees
Energy at 0K	-2699.618692
Energy at 298.15K	-2699.620903
HF Energy	-2699.618692
Nuclear repulsion energy	454.052816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3604	27.66
2	A	1039	1029	92.59
3	A	966	957	44.44
4	A	682	676	71.91
5	A	342	339	49.94
6	A	315	312	11.85
7	A	248	246	6.16
8	A	145	144	68.84
9	B	3635	3601	245.26
10	B	1096	1086	137.31
11	B	1019	1009	83.31
12	B	695	688	149.77
13	B	345	342	48.02
14	B	316	313	43.40
15	B	272	269	41.06

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.128
O2	0.000	1.421	0.847
O3	0.000	-1.421	0.847
O4	1.343	0.003	-0.989
O5	-1.343	-0.003	-0.989
H6	1.650	-0.928	-1.038
H7	-1.650	0.928	-1.038

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.5929	1.5929	1.7463	1.7463	2.2235	2.2235
O2	1.5929		2.8429	2.6804	2.6831	3.4344	2.5531
O3	1.5929	2.8429		2.6831	2.6804	2.5531	3.4344
O4	1.7463	2.6804	2.6831		2.6856	0.9814	3.1335
O5	1.7463	2.6831	2.6804	2.6856		3.1335	0.9814
H6	2.2235	3.4344	2.5531	0.9814	3.1335		3.7870
H7	2.2235	2.5531	3.4344	3.1335	0.9814	3.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	105.767	Se1	O5	H7	105.767
O2	Se1	O3	126.349	O2	Se1	O4	106.690
O2	Se1	O5	106.846	O3	Se1	O4	106.846
O3	Se1	O5	106.690	O4	Se1	O5	100.519

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

using model chemistry: LSDA/aug-cc-pVTZ

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	2.131
2	O	-0.764
3	O	-0.764
4	O	-0.471
5	O	-0.471
6	H	0.170
7	H	0.170

	x	y	z	Total
	0.000	0.000	-2.368	2.368
CHELPG
AIM
ESP

	x	y	z
x	6.713	-0.316	0.000
y	-0.316	7.265	0.000
z	0.000	0.000	6.581

<r²>	123.572
(<r²>)^1/2	11.116

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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