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	hartrees
Energy at 0K	-2998.603859
Energy at 298.15K
HF Energy	-2996.646268
Nuclear repulsion energy	834.049213

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.678
F3	0.000	1.678	0.000
F4	1.678	0.000	0.000
F5	0.000	-1.678	0.000
F6	-1.678	0.000	0.000
F7	0.000	0.000	-1.678

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.6780	1.6780	1.6780	1.6780	1.6780	1.6780
F2	1.6780		2.3730	2.3730	2.3730	2.3730	3.3560
F3	1.6780	2.3730		2.3730	3.3560	2.3730	2.3730
F4	1.6780	2.3730	2.3730		2.3730	3.3560	2.3730
F5	1.6780	2.3730	3.3560	2.3730		2.3730	2.3730
F6	1.6780	2.3730	2.3730	3.3560	2.3730		2.3730
F7	1.6780	3.3560	2.3730	2.3730	2.3730	2.3730

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(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

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