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	hartrees
Energy at 0K	-2801.030336
Energy at 298.15K
HF Energy	-2801.030336
Nuclear repulsion energy	470.654115

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	725	700	50.62	17.17	0.01	0.01
2	A₁	561	542	1.73	11.92	0.44	0.61
3	A₁	346	334	24.04	1.22	0.25	0.40
4	A₁	155	150	0.96	0.49	0.67	0.80
5	A₂	353	340	0.00	1.27	0.75	0.86
6	B₁	706	681	106.60	4.57	0.75	0.86
7	B₁	234	226	11.99	0.01	0.75	0.86
8	B₂	618	596	337.48	0.62	0.75	0.86
9	B₂	387	373	12.26	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.326
F2	0.000	1.781	0.147
F3	0.000	-1.781	0.147
F4	1.316	0.000	-0.762
F5	-1.316	0.000	-0.762

	Se1	F2	F3	F4	F5
Se1		1.7895	1.7895	1.7071	1.7071
F2	1.7895		3.5611	2.3933	2.3933
F3	1.7895	3.5611		2.3933	2.3933
F4	1.7071	2.3933	2.3933		2.6311
F5	1.7071	2.3933	2.3933	2.6311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.551	F2	Se1	F4	86.355
F2	Se1	F5	86.355	F3	Se1	F4	86.355
F3	Se1	F5	86.355	F4	Se1	F5	100.822

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

using model chemistry: TPSSh/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	2.012
2	F	-0.529
3	F	-0.529
4	F	-0.477
5	F	-0.477

	x	y	z	Total
	0.000	0.000	1.724	1.724
CHELPG
AIM
ESP

<r²>	127.106
(<r²>)^1/2	11.274

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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