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	hartrees
Energy at 0K	-3001.763397
Energy at 298.15K	-3001.765110
HF Energy	-3001.763397
Nuclear repulsion energy	813.790317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	652	643	0.00
2	E_g	611	603	0.00
2	E_g	611	603	0.00
3	T_1u	722	712	173.43
3	T_1u	722	712	173.43
3	T_1u	722	712	173.43
4	T_1u	414	408	44.09
4	T_1u	414	408	44.09
4	T_1u	414	408	44.09
5	T_2g	377	372	0.00
5	T_2g	377	372	0.00
5	T_2g	377	372	0.00
6	T_2u	250	246	0.00
6	T_2u	250	246	0.00
6	T_2u	250	246	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.720
F3	0.000	1.720	0.000
F4	1.720	0.000	0.000
F5	0.000	-1.720	0.000
F6	-1.720	0.000	0.000
F7	0.000	0.000	-1.720

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7198	1.7198	1.7198	1.7198	1.7198	1.7198
F2	1.7198		2.4322	2.4322	2.4322	2.4322	3.4396
F3	1.7198	2.4322		2.4322	3.4396	2.4322	2.4322
F4	1.7198	2.4322	2.4322		2.4322	3.4396	2.4322
F5	1.7198	2.4322	3.4396	2.4322		2.4322	2.4322
F6	1.7198	2.4322	2.4322	3.4396	2.4322		2.4322
F7	1.7198	3.4396	2.4322	2.4322	2.4322	2.4322

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: B97D3/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	1.378
2	F	-0.230
3	F	-0.230
4	F	-0.230
5	F	-0.230
6	F	-0.230
7	F	-0.230

<r²>	189.824
(<r²>)^1/2	13.778

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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