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	hartrees
Energy at 0K	-2800.778887
Energy at 298.15K
HF Energy	-2800.778887
Nuclear repulsion energy	465.653798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	725	699	52.47	17.32	0.01	0.01
2	A₁	571	551	1.99	13.39	0.46	0.63
3	A₁	335	323	24.10	1.26	0.28	0.44
4	A₁	151	145	1.01	0.53	0.70	0.82
5	A₂	337	325	0.00	1.43	0.75	0.86
6	B₁	707	682	108.57	5.20	0.75	0.86
7	B₁	227	219	12.13	0.02	0.75	0.86
8	B₂	635	612	355.02	0.62	0.75	0.86
9	B₂	371	358	9.44	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.326
F2	0.000	1.797	0.160
F3	0.000	-1.797	0.160
F4	1.331	0.000	-0.776
F5	-1.331	0.000	-0.776

	Se1	F2	F3	F4	F5
Se1		1.8051	1.8051	1.7275	1.7275
F2	1.8051		3.5947	2.4239	2.4239
F3	1.8051	3.5947		2.4239	2.4239
F4	1.7275	2.4239	2.4239		2.6610
F5	1.7275	2.4239	2.4239	2.6610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	169.414	F2	Se1	F4	86.627
F2	Se1	F5	86.627	F3	Se1	F4	86.627
F3	Se1	F5	86.627	F4	Se1	F5	100.744

All results from a given calculation for SeF₄ (Selenium tetrafluoride)

using model chemistry: B3PW91/aug-cc-pVDZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Se	1.916
2	F	-0.511
3	F	-0.511
4	F	-0.447
5	F	-0.447

	x	y	z	Total
	0.000	0.000	1.885	1.885
CHELPG
AIM
ESP

<r²>	129.494
(<r²>)^1/2	11.380

All results from a given calculation for SeF4 (Selenium tetrafluoride)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for SeF₄ (Selenium tetrafluoride)