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	hartrees
Energy at 0K	-3000.457612
Energy at 298.15K	-3000.459548
HF Energy	-3000.457612
Nuclear repulsion energy	818.645921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	708	708	0.00
2	E_g	663	663	0.00
2	E_g	663	663	0.00
3	T_1u	801	801	172.30
3	T_1u	801	801	172.30
3	T_1u	801	801	172.30
4	T_1u	427	427	62.07
4	T_1u	427	427	62.07
4	T_1u	427	427	62.07
5	T_2g	384	384	0.00
5	T_2g	384	384	0.00
5	T_2g	384	384	0.00
6	T_2u	256	256	0.00
6	T_2u	256	256	0.00
6	T_2u	256	256	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.710
F3	0.000	1.710	0.000
F4	1.710	0.000	0.000
F5	0.000	-1.710	0.000
F6	-1.710	0.000	0.000
F7	0.000	0.000	-1.710

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7096	1.7096	1.7096	1.7096	1.7096	1.7096
F2	1.7096		2.4178	2.4178	2.4178	2.4178	3.4192
F3	1.7096	2.4178		2.4178	3.4192	2.4178	2.4178
F4	1.7096	2.4178	2.4178		2.4178	3.4192	2.4178
F5	1.7096	2.4178	3.4192	2.4178		2.4178	2.4178
F6	1.7096	2.4178	2.4178	3.4192	2.4178		2.4178
F7	1.7096	3.4192	2.4178	2.4178	2.4178	2.4178

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: M06-2X/6-311G*

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	1.610
2	F	-0.268
3	F	-0.268
4	F	-0.268
5	F	-0.268
6	F	-0.268
7	F	-0.268

<r²>	188.858
(<r²>)^1/2	13.743

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

using model chemistry: M06-2X/6-311G*

States and conformations

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