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	hartrees
Energy at 0K	-2982.962271
Energy at 298.15K	-2982.964563
HF Energy	-2982.090921
Nuclear repulsion energy	819.978278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	771	741	0.00
2	E_g	755	726	0.00
2	E_g	755	726	0.00
3	T_1u	900	865	129.75
3	T_1u	900	865	129.75
3	T_1u	900	865	129.75
4	T_1u	443	426	62.00
4	T_1u	443	426	62.00
4	T_1u	443	426	62.00
5	T_2g	400	385	0.00
5	T_2g	400	385	0.00
5	T_2g	400	385	0.00
6	T_2u	277	266	0.00
6	T_2u	277	266	0.00
6	T_2u	277	266	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.707
F3	0.000	1.707	0.000
F4	1.707	0.000	0.000
F5	0.000	-1.707	0.000
F6	-1.707	0.000	0.000
F7	0.000	0.000	-1.707

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7068	1.7068	1.7068	1.7068	1.7068	1.7068
F2	1.7068		2.4138	2.4138	2.4138	2.4138	3.4137
F3	1.7068	2.4138		2.4138	3.4137	2.4138	2.4138
F4	1.7068	2.4138	2.4138		2.4138	3.4137	2.4138
F5	1.7068	2.4138	3.4137	2.4138		2.4138	2.4138
F6	1.7068	2.4138	2.4138	3.4137	2.4138		2.4138
F7	1.7068	3.4137	2.4138	2.4138	2.4138	2.4138

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: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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