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	hartrees
Energy at 0K	-309.427586
Energy at 298.15K	-309.429597
HF Energy	-309.427586
Nuclear repulsion energy	150.346269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3990	3593	123.35
2	A	1122	1010	37.19
3	A	736	663	95.67
4	A	617	556	0.02
5	A	370	333	264.72
6	A	307	276	1.92
7	A	239	215	2.98
8	A	224	202	70.09
9	B	3985	3588	372.16
10	B	1135	1022	87.96
11	B	731	658	144.58
12	B	675	608	7.86
13	B	308	277	234.27
14	B	296	267	29.02
15	B	237	213	43.59

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.135
O2	0.000	1.538	0.890
O3	0.000	-1.538	0.890
O4	1.337	0.012	-1.015
O5	-1.337	-0.012	-1.015
H6	1.678	-0.840	-1.297
H7	-1.678	0.840	-1.297

	Se1	O2	O3	O4	O5	H6	H7
Se1		1.7136	1.7136	1.7630	1.7630	2.3605	2.3605
O2	1.7136		3.0758	2.7830	2.7962	3.6410	2.8439
O3	1.7136	3.0758		2.7962	2.7830	2.8439	3.6410
O4	1.7630	2.7830	2.7962		2.6739	0.9605	3.1396
O5	1.7630	2.7962	2.7830	2.6739		3.1396	0.9605
H6	2.3605	3.6410	2.8439	0.9605	3.1396		3.7538
H7	2.3605	2.8439	3.6410	3.1396	0.9605	3.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	O4	H6	117.071	Se1	O5	H7	117.071
O2	Se1	O3	127.655	O2	Se1	O4	106.345
O2	Se1	O5	107.075	O3	Se1	O4	107.075
O3	Se1	O5	106.345	O4	Se1	O5	98.634

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

using model chemistry: HF/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. 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Number	Element	Mulliken
1	Se	1.860
2	O	-0.639
3	O	-0.639
4	O	-0.777
5	O	-0.777
6	H	0.486
7	H	0.486

	x	y	z	Total
	0.000	0.000	-3.239	3.239
CHELPG
AIM
ESP

	x	y	z
x	4.597	-0.312	0.000
y	-0.312	6.559	0.000
z	0.000	0.000	4.801

<r²>	130.884
(<r²>)^1/2	11.440

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

using model chemistry: HF/SDD

States and conformations

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