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	hartrees
Energy at 0K	-2800.349493
Energy at 298.15K
HF Energy	-2800.349493
Nuclear repulsion energy	474.251051

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	748	748	56.37	14.79	0.01	0.01
2	A₁	574	574	1.16	11.28	0.46	0.63
3	A₁	360	360	26.93	1.16	0.29	0.45
4	A₁	165	165	1.14	0.43	0.67	0.80
5	A₂	359	359	0.00	1.19	0.75	0.86
6	B₁	729	729	111.30	4.64	0.75	0.86
7	B₁	242	242	12.67	0.01	0.75	0.86
8	B₂	630	630	358.21	0.77	0.75	0.86
9	B₂	394	394	12.83	0.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.325
F2	0.000	1.768	0.142
F3	0.000	-1.768	0.142
F4	1.304	0.000	-0.756
F5	-1.304	0.000	-0.756

	Se1	F2	F3	F4	F5
Se1		1.7771	1.7771	1.6937	1.6937
F2	1.7771		3.5354	2.3732	2.3732
F3	1.7771	3.5354		2.3732	2.3732
F4	1.6937	2.3732	2.3732		2.6086
F5	1.6937	2.3732	2.3732	2.6086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.194	F2	Se1	F4	86.238
F2	Se1	F5	86.238	F3	Se1	F4	86.238
F3	Se1	F5	86.238	F4	Se1	F5	100.721

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	1.812
2	F	-0.488
3	F	-0.488
4	F	-0.418
5	F	-0.418

	x	y	z	Total
	0.000	0.000	1.761	1.761
CHELPG
AIM
ESP

<r²>	125.498
(<r²>)^1/2	11.203

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

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