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	hartrees
Energy at 0K	-3000.203439
Energy at 298.15K	-3000.205420
HF Energy	-2999.562966
Nuclear repulsion energy	825.709013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	707	679	0.00
2	E_g	654	627	0.00
2	E_g	654	627	0.00
3	T_1u	775	744	177.28
3	T_1u	775	744	177.28
3	T_1u	775	744	177.28
4	T_1u	428	411	54.09
4	T_1u	428	411	54.09
4	T_1u	428	411	54.09
5	T_2g	395	379	0.00
5	T_2g	395	379	0.00
5	T_2g	395	379	0.00
6	T_2u	259	248	0.00
6	T_2u	259	248	0.00
6	T_2u	259	248	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.695
F3	0.000	1.695	0.000
F4	1.695	0.000	0.000
F5	0.000	-1.695	0.000
F6	-1.695	0.000	0.000
F7	0.000	0.000	-1.695

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.6950	1.6950	1.6950	1.6950	1.6950	1.6950
F2	1.6950		2.3971	2.3971	2.3971	2.3971	3.3900
F3	1.6950	2.3971		2.3971	3.3900	2.3971	2.3971
F4	1.6950	2.3971	2.3971		2.3971	3.3900	2.3971
F5	1.6950	2.3971	3.3900	2.3971		2.3971	2.3971
F6	1.6950	2.3971	2.3971	3.3900	2.3971		2.3971
F7	1.6950	3.3900	2.3971	2.3971	2.3971	2.3971

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: B2PLYP=FULL/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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All results from a given calculation for SeF6 (Selenium hexafluoride)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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