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	hartrees
Energy at 0K	-2801.160241
Energy at 298.15K
HF Energy	-2801.160241
Nuclear repulsion energy	474.834761

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	755	755	59.49	13.58	0.00	0.01
2	A₁	577	577	1.34	10.23	0.49	0.66
3	A₁	366	366	28.51	1.20	0.41	0.58
4	A₁	167	167	1.09	0.44	0.71	0.83
5	A₂	370	370	0.00	1.49	0.75	0.86
6	B₁	734	734	115.43	4.72	0.75	0.86
7	B₁	246	246	13.60	0.01	0.75	0.86
8	B₂	633	633	360.29	0.86	0.75	0.86
9	B₂	406	406	14.01	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.323
F2	0.000	1.766	0.147
F3	0.000	-1.766	0.147
F4	1.301	0.000	-0.757
F5	-1.301	0.000	-0.757

	Se1	F2	F3	F4	F5
Se1		1.7750	1.7750	1.6910	1.6910
F2	1.7750		3.5324	2.3726	2.3726
F3	1.7750	3.5324		2.3726	2.3726
F4	1.6910	2.3726	2.3726		2.6026
F5	1.6910	2.3726	2.3726	2.6026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.599	F2	Se1	F4	86.363
F2	Se1	F5	86.363	F3	Se1	F4	86.363
F3	Se1	F5	86.363	F4	Se1	F5	100.625

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

using model chemistry: mPW1PW91/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	1.101
2	F	-0.334
3	F	-0.334
4	F	-0.216
5	F	-0.216

	x	y	z	Total
	0.000	0.000	1.785	1.785
CHELPG
AIM
ESP

<r²>	125.142
(<r²>)^1/2	11.187

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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