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	hartrees
Energy at 0K	-2801.092538
Energy at 298.15K
HF Energy	-2801.092538
Nuclear repulsion energy	474.052562

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	746	746	56.41	14.82	0.01	0.01
2	A₁	572	572	1.16	11.32	0.46	0.63
3	A₁	360	360	26.92	1.18	0.28	0.44
4	A₁	166	166	1.20	0.44	0.66	0.80
5	A₂	358	358	0.00	1.20	0.75	0.86
6	B₁	728	728	111.38	4.66	0.75	0.86
7	B₁	242	242	12.76	0.02	0.75	0.86
8	B₂	628	628	359.70	0.75	0.75	0.86
9	B₂	394	394	12.47	0.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.324
F2	0.000	1.769	0.144
F3	0.000	-1.769	0.144
F4	1.304	0.000	-0.757
F5	-1.304	0.000	-0.757

	Se1	F2	F3	F4	F5
Se1		1.7781	1.7781	1.6939	1.6939
F2	1.7781		3.5379	2.3752	2.3752
F3	1.7781	3.5379		2.3752	2.3752
F4	1.6939	2.3752	2.3752		2.6087
F5	1.6939	2.3752	2.3752	2.6087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	168.369	F2	Se1	F4	86.293
F2	Se1	F5	86.293	F3	Se1	F4	86.293
F3	Se1	F5	86.293	F4	Se1	F5	100.712

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

using model chemistry: mPW1PW91/6-311+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	1.820
2	F	-0.491
3	F	-0.491
4	F	-0.420
5	F	-0.420

	x	y	z	Total
	0.000	0.000	1.774	1.774
CHELPG
AIM
ESP

<r²>	125.580
(<r²>)^1/2	11.206

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

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