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	hartrees
Energy at 0K	-2999.773361
Energy at 298.15K	-2999.775122
HF Energy	-2999.297315
Nuclear repulsion energy	811.509822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	676	676	0.00
2	E_g	641	641	0.00
2	E_g	641	641	0.00
3	T_1u	764	764	174.74
3	T_1u	764	764	174.74
3	T_1u	763	763	174.74
4	T_1u	410	410	47.65
4	T_1u	410	410	47.65
4	T_1u	410	410	47.65
5	T_2g	369	369	0.00
5	T_2g	369	369	0.00
5	T_2g	369	369	0.00
6	T_2u	246	246	0.00
6	T_2u	246	246	0.00
6	T_2u	246	246	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.725
F3	0.000	1.725	0.000
F4	1.725	0.000	0.000
F5	0.000	-1.725	0.000
F6	-1.725	0.000	0.000
F7	0.000	0.000	-1.725

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7247	1.7247	1.7247	1.7247	1.7247	1.7247
F2	1.7247		2.4390	2.4390	2.4390	2.4390	3.4493
F3	1.7247	2.4390		2.4390	3.4493	2.4390	2.4390
F4	1.7247	2.4390	2.4390		2.4390	3.4493	2.4390
F5	1.7247	2.4390	3.4493	2.4390		2.4390	2.4390
F6	1.7247	2.4390	2.4390	3.4493	2.4390		2.4390
F7	1.7247	3.4493	2.4390	2.4390	2.4390	2.4390

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/aug-cc-pVDZ

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	3.177
2	F	-0.530
3	F	-0.530
4	F	-0.530
5	F	-0.530
6	F	-0.530
7	F	-0.530

<r²>	191.627
(<r²>)^1/2	13.843

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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