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	hartrees
Energy at 0K	-2700.678772
Energy at 298.15K	-2700.680825
HF Energy	-2700.678772
Nuclear repulsion energy	443.776971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3575	3516	18.79
2	A	1109	1091	81.93
3	A	937	921	49.80
4	A	624	614	62.29
5	A	330	324	64.76
6	A	306	301	5.28
7	A	234	230	4.56
8	A	147	144	67.97
9	B	3572	3513	146.36
10	B	1149	1130	111.41
11	B	1005	989	80.85
12	B	642	632	136.04
13	B	331	326	69.78
14	B	308	303	32.05
15	B	276	271	31.69

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.134
O2	0.000	1.454	0.863
O3	0.000	-1.454	0.863
O4	1.377	-0.004	-1.018
O5	-1.377	0.004	-1.018
H6	1.651	-0.952	-1.036
H7	-1.651	0.952	-1.036

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6261	1.6261	1.7960	1.7960	2.2362	2.2362
O2	1.6261		2.9078	2.7496	2.7455	3.4809	2.5658
O3	1.6261	2.9078		2.7455	2.7496	2.5658	3.4809
O4	1.7960	2.7496	2.7455		2.7544	0.9866	3.1751
O5	1.7960	2.7455	2.7496	2.7544		3.1751	0.9866
H6	2.2362	3.4809	2.5658	0.9866	3.1751		3.8106
H7	2.2362	2.5658	3.4809	3.1751	0.9866	3.8106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	103.076	Se1	O5	H7	103.076
O2	Se1	O3	126.780	O2	Se1	O4	106.821
O2	Se1	O5	106.595	O3	Se1	O4	106.595
O3	Se1	O5	106.821	O4	Se1	O5	100.141

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

using model chemistry: PBEPBEultrafine/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	1.224
2	O	-0.468
3	O	-0.468
4	O	-0.571
5	O	-0.571
6	H	0.426
7	H	0.426

	x	y	z	Total
	0.000	0.000	-1.985	1.985
CHELPG
AIM
ESP

	x	y	z
x	5.264	-0.473	0.000
y	-0.473	6.000	0.000
z	0.000	0.000	5.021

<r²>	127.578
(<r²>)^1/2	11.295

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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