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	hartrees
Energy at 0K	-2963.895877
Energy at 298.15K	-2963.896216
HF Energy	-2963.827325
Nuclear repulsion energy	777.593598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	583	583	0.00
2	E_g	607	607	0.00
2	E_g	607	607	0.00
3	T_1u	746	746	67.56
3	T_1u	746	746	67.56
3	T_1u	746	746	67.56
4	T_1u	319	319	34.80
4	T_1u	319	319	34.80
4	T_1u	319	319	34.80
5	T_2g	288	288	0.00
5	T_2g	288	288	0.00
5	T_2g	288	288	0.00
6	T_2u	199	199	0.00
6	T_2u	199	199	0.00
6	T_2u	199	199	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.800
F3	0.000	1.800	0.000
F4	1.800	0.000	0.000
F5	0.000	-1.800	0.000
F6	-1.800	0.000	0.000
F7	0.000	0.000	-1.800

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7999	1.7999	1.7999	1.7999	1.7999	1.7999
F2	1.7999		2.5454	2.5454	2.5454	2.5454	3.5998
F3	1.7999	2.5454		2.5454	3.5998	2.5454	2.5454
F4	1.7999	2.5454	2.5454		2.5454	3.5998	2.5454
F5	1.7999	2.5454	3.5998	2.5454		2.5454	2.5454
F6	1.7999	2.5454	2.5454	3.5998	2.5454		2.5454
F7	1.7999	3.5998	2.5454	2.5454	2.5454	2.5454

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/STO-3G

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/STO-3G

States and conformations

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