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	hartrees
Energy at 0K	-2998.216141
Energy at 298.15K	-2998.217862
HF Energy	-2998.216141
Nuclear repulsion energy	816.850036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	698	670	0.00
2	E_g	677	650	0.00
2	E_g	677	650	0.00
3	T_1u	779	747	151.92
3	T_1u	779	747	151.92
3	T_1u	779	747	151.92
4	T_1u	406	389	42.44
4	T_1u	406	389	42.44
4	T_1u	406	389	42.44
5	T_2g	368	353	0.00
5	T_2g	368	353	0.00
5	T_2g	368	353	0.00
6	T_2u	241	231	0.00
6	T_2u	241	231	0.00
6	T_2u	241	231	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.713
F3	0.000	1.713	0.000
F4	1.713	0.000	0.000
F5	0.000	-1.713	0.000
F6	-1.713	0.000	0.000
F7	0.000	0.000	-1.713

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7134	1.7134	1.7134	1.7134	1.7134	1.7134
F2	1.7134		2.4231	2.4231	2.4231	2.4231	3.4268
F3	1.7134	2.4231		2.4231	3.4268	2.4231	2.4231
F4	1.7134	2.4231	2.4231		2.4231	3.4268	2.4231
F5	1.7134	2.4231	3.4268	2.4231		2.4231	2.4231
F6	1.7134	2.4231	2.4231	3.4268	2.4231		2.4231
F7	1.7134	3.4268	2.4231	2.4231	2.4231	2.4231

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/6-31G*

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	1.639
2	F	-0.273
3	F	-0.273
4	F	-0.273
5	F	-0.273
6	F	-0.273
7	F	-0.273

<r²>	188.110
(<r²>)^1/2	13.715

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

using model chemistry: TPSSh/6-31G*

States and conformations

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