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	hartrees
Energy at 0K	-2800.400315
Energy at 298.15K
HF Energy	-2800.400315
Nuclear repulsion energy	463.947513

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	683	679	47.93	18.96	0.01	0.01
2	A₁	535	532	2.84	13.10	0.45	0.62
3	A₁	320	318	19.73	1.54	0.23	0.37
4	A₁	148	147	1.13	0.61	0.64	0.78
5	A₂	327	325	0.00	1.48	0.75	0.86
6	B₁	663	659	104.13	4.78	0.75	0.86
7	B₁	213	212	10.60	0.02	0.75	0.86
8	B₂	593	589	322.58	0.47	0.75	0.86
9	B₂	361	359	7.80	0.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.323
F2	0.000	1.807	0.176
F3	0.000	-1.807	0.176
F4	1.329	0.000	-0.786
F5	-1.329	0.000	-0.786

	Se1	F2	F3	F4	F5
Se1		1.8131	1.8131	1.7308	1.7308
F2	1.8131		3.6143	2.4409	2.4409
F3	1.8131	3.6143		2.4409	2.4409
F4	1.7308	2.4409	2.4409		2.6590
F5	1.7308	2.4409	2.4409	2.6590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	170.723	F2	Se1	F4	87.032
F2	Se1	F5	87.032	F3	Se1	F4	87.032
F3	Se1	F5	87.032	F4	Se1	F5	100.370

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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	1.958
2	F	-0.516
3	F	-0.516
4	F	-0.463
5	F	-0.463

	x	y	z	Total
	0.000	0.000	1.712	1.712
CHELPG
AIM
ESP

<r²>	130.469
(<r²>)^1/2	11.422

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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