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	hartrees
Energy at 0K	-2801.177336
Energy at 298.15K
HF Energy	-2801.177336
Nuclear repulsion energy	474.820932

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	725	59.04	12.27	0.00	0.01
2	A₁	586	562	1.20	9.21	0.51	0.68
3	A₁	366	351	28.47	1.07	0.39	0.57
4	A₁	167	160	1.01	0.40	0.69	0.82
5	A₂	368	353	0.00	1.42	0.75	0.86
6	B₁	736	706	110.88	4.31	0.75	0.86
7	B₁	247	237	13.14	0.02	0.75	0.86
8	B₂	646	620	342.07	0.80	0.75	0.86
9	B₂	404	388	13.47	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.323
F2	0.000	1.765	0.148
F3	0.000	-1.765	0.148
F4	1.303	0.000	-0.757
F5	-1.303	0.000	-0.757

	Se1	F2	F3	F4	F5
Se1		1.7732	1.7732	1.6925	1.6925
F2	1.7732		3.5292	2.3730	2.3730
F3	1.7732	3.5292		2.3730	2.3730
F4	1.6925	2.3730	2.3730		2.6063
F5	1.6925	2.3730	2.3730	2.6063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.676	F2	Se1	F4	86.390
F2	Se1	F5	86.390	F3	Se1	F4	86.390
F3	Se1	F5	86.390	F4	Se1	F5	100.694

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

using model chemistry: mPW1PW91/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	1.160
2	F	-0.347
3	F	-0.347
4	F	-0.233
5	F	-0.233

	x	y	z	Total
	0.000	0.000	1.750	1.750
CHELPG
AIM
ESP

<r²>	124.977
(<r²>)^1/2	11.179

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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