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	hartrees
Energy at 0K	-2800.494252
Energy at 298.15K
HF Energy	-2800.071363
Nuclear repulsion energy	472.800505

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	740	740	57.54	15.32	0.00	0.01
2	A₁	568	568	1.31	11.61	0.47	0.64
3	A₁	361	361	28.27	1.39	0.39	0.56
4	A₁	166	166	1.17	0.50	0.70	0.82
5	A₂	365	365	0.00	1.65	0.75	0.86
6	B₁	723	723	113.00	4.99	0.75	0.86
7	B₁	242	242	13.73	0.02	0.75	0.86
8	B₂	622	622	355.13	0.89	0.75	0.86
9	B₂	400	400	13.51	1.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.324
F2	0.000	1.775	0.151
F3	0.000	-1.775	0.151
F4	1.305	0.000	-0.762
F5	-1.305	0.000	-0.762

	Se1	F2	F3	F4	F5
Se1		1.7834	1.7834	1.6973	1.6973
F2	1.7834		3.5499	2.3845	2.3845
F3	1.7834	3.5499		2.3845	2.3845
F4	1.6973	2.3845	2.3845		2.6101
F5	1.6973	2.3845	2.3845	2.6101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.869	F2	Se1	F4	86.445
F2	Se1	F5	86.445	F3	Se1	F4	86.445
F3	Se1	F5	86.445	F4	Se1	F5	100.508

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

using model chemistry: B2PLYP/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	1.167
2	F	-0.351
3	F	-0.351
4	F	-0.232
5	F	-0.232

	x	y	z	Total
	0.000	0.000	1.828	1.828
CHELPG
AIM
ESP

<r²>	126.303
(<r²>)^1/2	11.238

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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