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	hartrees
Energy at 0K	-3000.735399
Energy at 298.15K	-3000.737293
HF Energy	-3000.735399
Nuclear repulsion energy	821.828775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	694	672	0.00
2	E_g	648	627	0.00
2	E_g	648	627	0.00
3	T_1u	770	745	180.44
3	T_1u	770	745	180.44
3	T_1u	770	745	180.44
4	T_1u	421	408	49.84
4	T_1u	421	408	49.84
4	T_1u	421	408	49.84
5	T_2g	383	371	0.00
5	T_2g	383	371	0.00
5	T_2g	383	371	0.00
6	T_2u	256	248	0.00
6	T_2u	256	248	0.00
6	T_2u	256	248	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.703
F3	0.000	1.703	0.000
F4	1.703	0.000	0.000
F5	0.000	-1.703	0.000
F6	-1.703	0.000	0.000
F7	0.000	0.000	-1.703

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7030	1.7030	1.7030	1.7030	1.7030	1.7030
F2	1.7030		2.4084	2.4084	2.4084	2.4084	3.4060
F3	1.7030	2.4084		2.4084	3.4060	2.4084	2.4084
F4	1.7030	2.4084	2.4084		2.4084	3.4060	2.4084
F5	1.7030	2.4084	3.4060	2.4084		2.4084	2.4084
F6	1.7030	2.4084	2.4084	3.4060	2.4084		2.4084
F7	1.7030	3.4060	2.4084	2.4084	2.4084	2.4084

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: TPSSh/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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Number	Element	Mulliken
1	Se	1.326
2	F	-0.221
3	F	-0.221
4	F	-0.221
5	F	-0.221
6	F	-0.221
7	F	-0.221

<r²>	186.823
(<r²>)^1/2	13.668

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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