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	hartrees
Energy at 0K	-2801.112172
Energy at 298.15K
HF Energy	-2801.112172
Nuclear repulsion energy	470.099641

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	727	699	57.97	14.59	0.00	0.01
2	A₁	556	536	1.72	10.99	0.49	0.66
3	A₁	350	337	26.73	1.35	0.39	0.56
4	A₁	163	157	1.26	0.49	0.70	0.83
5	A₂	353	340	0.00	1.65	0.75	0.86
6	B₁	705	678	113.10	5.00	0.75	0.86
7	B₁	233	224	13.52	0.02	0.75	0.86
8	B₂	609	587	354.85	0.81	0.75	0.86
9	B₂	389	375	10.99	1.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.323
F2	0.000	1.786	0.161
F3	0.000	-1.786	0.161
F4	1.310	0.000	-0.771
F5	-1.310	0.000	-0.771

	Se1	F2	F3	F4	F5
Se1		1.7933	1.7933	1.7064	1.7064
F2	1.7933		3.5719	2.4026	2.4026
F3	1.7933	3.5719		2.4026	2.4026
F4	1.7064	2.4026	2.4026		2.6196
F5	1.7064	2.4026	2.4026	2.6196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	169.610	F2	Se1	F4	86.673
F2	Se1	F5	86.673	F3	Se1	F4	86.673
F3	Se1	F5	86.673	F4	Se1	F5	100.270

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

using model chemistry: B3LYP/Def2TZVPP

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	1.176
2	F	-0.354
3	F	-0.354
4	F	-0.234
5	F	-0.234

	x	y	z	Total
	0.000	0.000	1.882	1.882
CHELPG
AIM
ESP

<r²>	127.522
(<r²>)^1/2	11.293

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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