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	hartrees
Energy at 0K	-2786.951124
Energy at 298.15K
HF Energy	-2786.951124
Nuclear repulsion energy	471.809871

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	792	760	41.64	10.28	0.00	0.00
2	A₁	664	637	0.39	8.42	0.49	0.66
3	A₁	360	345	28.96	0.84	0.61	0.76
4	A₁	166	159	0.29	0.39	0.73	0.85
5	A₂	350	336	0.00	1.43	0.75	0.86
6	B₁	795	763	68.72	4.34	0.75	0.86
7	B₁	238	228	10.37	0.03	0.75	0.86
8	B₂	770	739	225.80	0.74	0.75	0.86
9	B₂	388	373	14.43	1.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.326
F2	0.000	1.758	0.158
F3	0.000	-1.758	0.158
F4	1.322	0.000	-0.774
F5	-1.322	0.000	-0.774

	Se1	F2	F3	F4	F5
Se1		1.7664	1.7664	1.7200	1.7200
F2	1.7664		3.5166	2.3889	2.3889
F3	1.7664	3.5166		2.3889	2.3889
F4	1.7200	2.3889	2.3889		2.6435
F5	1.7200	2.3889	2.3889	2.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	169.038	F2	Se1	F4	86.496
F2	Se1	F5	86.496	F3	Se1	F4	86.496
F3	Se1	F5	86.496	F4	Se1	F5	100.432

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

using model chemistry: PBE1PBE/3-21G*

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	1.146
2	F	-0.317
3	F	-0.317
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	0.000	0.000	1.779	1.779
CHELPG
AIM
ESP

<r²>	125.345
(<r²>)^1/2	11.196

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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