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	hartrees
Energy at 0K	-2999.939598
Energy at 298.15K	-2999.941269
HF Energy	-2999.333213
Nuclear repulsion energy	809.367179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	646	646	0.00
2	E_g	620	620	0.00
2	E_g	620	620	0.00
3	T_1u	743	743	154.23
3	T_1u	743	743	154.23
3	T_1u	743	743	154.23
4	T_1u	412	412	50.84
4	T_1u	412	412	50.84
4	T_1u	412	412	50.84
5	T_2g	370	370	0.00
5	T_2g	370	370	0.00
5	T_2g	370	370	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	1.729
F3	0.000	1.729	0.000
F4	1.729	0.000	0.000
F5	0.000	-1.729	0.000
F6	-1.729	0.000	0.000
F7	0.000	0.000	-1.729

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7292	1.7292	1.7292	1.7292	1.7292	1.7292
F2	1.7292		2.4455	2.4455	2.4455	2.4455	3.4584
F3	1.7292	2.4455		2.4455	3.4584	2.4455	2.4455
F4	1.7292	2.4455	2.4455		2.4455	3.4584	2.4455
F5	1.7292	2.4455	3.4584	2.4455		2.4455	2.4455
F6	1.7292	2.4455	2.4455	3.4584	2.4455		2.4455
F7	1.7292	3.4584	2.4455	2.4455	2.4455	2.4455

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

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

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