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	hartrees
Energy at 0K	-2996.392717
Energy at 298.15K	-2996.395217
HF Energy	-2996.392717
Nuclear repulsion energy	837.556714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	800	729	0.00
2	E_g	734	668	0.00
2	E_g	734	668	0.00
3	T_1u	887	808	209.82
3	T_1u	887	808	209.82
3	T_1u	887	808	209.82
4	T_1u	470	428	72.49
4	T_1u	470	428	72.49
4	T_1u	470	428	72.49
5	T_2g	427	389	0.00
5	T_2g	427	389	0.00
5	T_2g	427	389	0.00
6	T_2u	286	261	0.00
6	T_2u	286	261	0.00
6	T_2u	286	261	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.671
F3	0.000	1.671	0.000
F4	1.671	0.000	0.000
F5	0.000	-1.671	0.000
F6	-1.671	0.000	0.000
F7	0.000	0.000	-1.671

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.6710	1.6710	1.6710	1.6710	1.6710	1.6710
F2	1.6710		2.3632	2.3632	2.3632	2.3632	3.3420
F3	1.6710	2.3632		2.3632	3.3420	2.3632	2.3632
F4	1.6710	2.3632	2.3632		2.3632	3.3420	2.3632
F5	1.6710	2.3632	3.3420	2.3632		2.3632	2.3632
F6	1.6710	2.3632	2.3632	3.3420	2.3632		2.3632
F7	1.6710	3.3420	2.3632	2.3632	2.3632	2.3632

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/aug-cc-pVDZ

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	4.193
2	F	-0.699
3	F	-0.699
4	F	-0.699
5	F	-0.699
6	F	-0.699
7	F	-0.699

<r²>	181.477
(<r²>)^1/2	13.471

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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