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	hartrees
Energy at 0K	-3000.122634
Energy at 298.15K	-3000.124672
HF Energy	-2999.548234
Nuclear repulsion energy	825.860922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	708	679	0.00
2	E_g	660	633	0.00
2	E_g	660	633	0.00
3	T_1u	784	752	180.44
3	T_1u	784	752	180.44
3	T_1u	784	752	180.44
4	T_1u	435	418	56.38
4	T_1u	435	418	56.38
4	T_1u	435	418	56.38
5	T_2g	397	381	0.00
5	T_2g	397	381	0.00
5	T_2g	397	381	0.00
6	T_2u	263	253	0.00
6	T_2u	263	253	0.00
6	T_2u	263	253	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		1.6947	1.6947	1.6947	1.6947	1.6947	1.6947
F2	1.6947		2.3966	2.3966	2.3966	2.3966	3.3894
F3	1.6947	2.3966		2.3966	3.3894	2.3966	2.3966
F4	1.6947	2.3966	2.3966		2.3966	3.3894	2.3966
F5	1.6947	2.3966	3.3894	2.3966		2.3966	2.3966
F6	1.6947	2.3966	2.3966	3.3894	2.3966		2.3966
F7	1.6947	3.3894	2.3966	2.3966	2.3966	2.3966

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/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	1.448
2	F	-0.241
3	F	-0.241
4	F	-0.241
5	F	-0.241
6	F	-0.241
7	F	-0.241

<r²>	185.562
(<r²>)^1/2	13.622

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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