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	hartrees
Energy at 0K	-2996.669937
Energy at 298.15K	-2996.672589
HF Energy	-2996.669937
Nuclear repulsion energy	849.763375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	835	756	0.00
2	E_g	739	669	0.00
2	E_g	739	669	0.00
3	T_1u	895	809	210.43
3	T_1u	895	809	210.43
3	T_1u	895	809	210.43
4	T_1u	488	442	80.29
4	T_1u	488	442	80.29
4	T_1u	488	442	80.29
5	T_2g	455	411	0.00
5	T_2g	455	411	0.00
5	T_2g	455	411	0.00
6	T_2u	299	271	0.00
6	T_2u	299	271	0.00
6	T_2u	299	271	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.647
F3	0.000	1.647	0.000
F4	1.647	0.000	0.000
F5	0.000	-1.647	0.000
F6	-1.647	0.000	0.000
F7	0.000	0.000	-1.647

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.6470	1.6470	1.6470	1.6470	1.6470	1.6470
F2	1.6470		2.3292	2.3292	2.3292	2.3292	3.2940
F3	1.6470	2.3292		2.3292	3.2940	2.3292	2.3292
F4	1.6470	2.3292	2.3292		2.3292	3.2940	2.3292
F5	1.6470	2.3292	3.2940	2.3292		2.3292	2.3292
F6	1.6470	2.3292	2.3292	3.2940	2.3292		2.3292
F7	1.6470	3.2940	2.3292	2.3292	2.3292	2.3292

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: HF/daug-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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Number	Element	Mulliken
1	Se	6.285
2	F	-1.047
3	F	-1.047
4	F	-1.047
5	F	-1.047
6	F	-1.047
7	F	-1.047

<r²>	176.880
(<r²>)^1/2	13.300

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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