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	hartrees
Energy at 0K	-2998.420235
Energy at 298.15K	-2998.421888
HF Energy	-2998.420235
Nuclear repulsion energy	810.251517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	664	639	0.00
2	E_g	627	604	0.00
2	E_g	627	604	0.00
3	T_1u	727	700	182.32
3	T_1u	727	700	182.32
3	T_1u	727	700	182.32
4	T_1u	407	392	49.50
4	T_1u	407	392	49.50
4	T_1u	407	392	49.50
5	T_2g	374	360	0.00
5	T_2g	374	360	0.00
5	T_2g	374	360	0.00
6	T_2u	243	234	0.00
6	T_2u	243	234	0.00
6	T_2u	243	234	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.727
F3	0.000	1.727	0.000
F4	1.727	0.000	0.000
F5	0.000	-1.727	0.000
F6	-1.727	0.000	0.000
F7	0.000	0.000	-1.727

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7273	1.7273	1.7273	1.7273	1.7273	1.7273
F2	1.7273		2.4428	2.4428	2.4428	2.4428	3.4547
F3	1.7273	2.4428		2.4428	3.4547	2.4428	2.4428
F4	1.7273	2.4428	2.4428		2.4428	3.4547	2.4428
F5	1.7273	2.4428	3.4547	2.4428		2.4428	2.4428
F6	1.7273	2.4428	2.4428	3.4547	2.4428		2.4428
F7	1.7273	3.4547	2.4428	2.4428	2.4428	2.4428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	90.000	F2	Se1	F4	90.000
F2	Se1	F5	90.000	F2	Se1	F6	90.000
F2	Se1	F7	180.000	F3	Se1	F4	90.000
F3	Se1	F5	180.000	F3	Se1	F6	90.000
F3	Se1	F7	90.000	F4	Se1	F5	90.000
F4	Se1	F6	180.000	F4	Se1	F7	90.000
F5	Se1	F6	90.000	F5	Se1	F7	90.000
F6	Se1	F7	90.000

All results from a given calculation for SeF₆ (Selenium hexafluoride)

using model chemistry: B3LYPultrafine/6-31+G**

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	2.244
2	F	-0.374
3	F	-0.374
4	F	-0.374
5	F	-0.374
6	F	-0.374
7	F	-0.374

<r²>	192.152
(<r²>)^1/2	13.862

All results from a given calculation for SeF6 (Selenium hexafluoride)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for SeF₆ (Selenium hexafluoride)