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	hartrees
Energy at 0K	-2995.071007
Energy at 298.15K	-2995.073329
HF Energy	-2994.096980
Nuclear repulsion energy	833.652882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	792	732	0.00
2	E_g	750	693	0.00
2	E_g	750	693	0.00
3	T_1u	872	805	175.19
3	T_1u	872	805	175.19
3	T_1u	872	805	175.19
4	T_1u	457	422	66.20
4	T_1u	457	422	66.20
4	T_1u	457	422	66.20
5	T_2g	418	386	0.00
5	T_2g	418	386	0.00
5	T_2g	418	386	0.00
6	T_2u	273	252	0.00
6	T_2u	273	252	0.00
6	T_2u	273	252	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.679
F3	0.000	1.679	0.000
F4	1.679	0.000	0.000
F5	0.000	-1.679	0.000
F6	-1.679	0.000	0.000
F7	0.000	0.000	-1.679

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.6788	1.6788	1.6788	1.6788	1.6788	1.6788
F2	1.6788		2.3742	2.3742	2.3742	2.3742	3.3577
F3	1.6788	2.3742		2.3742	3.3577	2.3742	2.3742
F4	1.6788	2.3742	2.3742		2.3742	3.3577	2.3742
F5	1.6788	2.3742	3.3577	2.3742		2.3742	2.3742
F6	1.6788	2.3742	2.3742	3.3577	2.3742		2.3742
F7	1.6788	3.3577	2.3742	2.3742	2.3742	2.3742

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: CID/6-31G*

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: CID/6-31G*

States and conformations

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