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	hartrees
Energy at 0K	-2690.542704
Energy at 298.15K	-2690.544825
HF Energy	-2690.542704
Nuclear repulsion energy	443.544413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3524	3364	8.38
2	A	1090	1040	112.15
3	A	943	900	28.44
4	A	706	674	49.40
5	A	362	346	78.18
6	A	336	320	26.96
7	A	235	224	0.95
8	A	142	135	14.90
9	B	3525	3364	159.35
10	B	1092	1043	56.80
11	B	1008	962	40.18
12	B	724	691	129.46
13	B	340	324	95.95
14	B	310	296	43.54
15	B	197	188	225.21

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.123
O2	-1.432	-0.093	0.929
O3	1.432	0.093	0.929
O4	0.000	1.291	-1.085
O5	0.000	-1.291	-1.085
H6	0.663	1.992	-0.837
H7	-0.663	-1.992	-0.837

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.6457	1.6457	1.7682	1.7682	2.3089	2.3089
O2	1.6457		2.8692	2.8327	2.7463	3.4435	2.7048
O3	1.6457	2.8692		2.7463	2.8327	2.7048	3.4435
O4	1.7682	2.8327	2.7463		2.5820	0.9968	3.3589
O5	1.7682	2.7463	2.8327	2.5820		3.3589	0.9968
H6	2.3089	3.4435	2.7048	0.9968	3.3589		4.1998
H7	2.3089	2.7048	3.4435	3.3589	0.9968	4.1998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	110.090	Se1	O5	H7	110.090
O2	Se1	O3	121.325	O2	Se1	O4	112.099
O2	Se1	O5	107.061	O3	Se1	O4	107.061
O3	Se1	O5	112.099	O4	Se1	O5	93.793

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

using model chemistry: mPW1PW91/3-21G

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	1.794
2	O	-0.627
3	O	-0.627
4	O	-0.678
5	O	-0.678
6	H	0.408
7	H	0.408

	x	y	z	Total
	0.000	0.000	-1.145	1.145
CHELPG
AIM
ESP

	x	y	z
x	4.810	0.783	0.000
y	0.783	4.673	0.000
z	0.000	0.000	4.305

<r²>	128.261
(<r²>)^1/2	11.325

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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