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	hartrees
Energy at 0K	-2994.451554
Energy at 298.15K	-2994.452816
HF Energy	-2993.591926
Nuclear repulsion energy	791.692793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	634	611	0.00
2	E_g	643	620	0.00
2	E_g	643	620	0.00
3	T_1u	755	727	106.67
3	T_1u	755	727	106.67
3	T_1u	755	727	106.67
4	T_1u	362	349	77.15
4	T_1u	362	349	77.15
4	T_1u	362	349	77.15
5	T_2g	329	317	0.00
5	T_2g	329	317	0.00
5	T_2g	329	317	0.00
6	T_2u	210	202	0.00
6	T_2u	210	202	0.00
6	T_2u	210	202	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.768
F3	0.000	1.768	0.000
F4	1.768	0.000	0.000
F5	0.000	-1.768	0.000
F6	-1.768	0.000	0.000
F7	0.000	0.000	-1.768

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7678	1.7678	1.7678	1.7678	1.7678	1.7678
F2	1.7678		2.5001	2.5001	2.5001	2.5001	3.5356
F3	1.7678	2.5001		2.5001	3.5356	2.5001	2.5001
F4	1.7678	2.5001	2.5001		2.5001	3.5356	2.5001
F5	1.7678	2.5001	3.5356	2.5001		2.5001	2.5001
F6	1.7678	2.5001	2.5001	3.5356	2.5001		2.5001
F7	1.7678	3.5356	2.5001	2.5001	2.5001	2.5001

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/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: QCISD/6-31G

States and conformations

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