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	hartrees
Energy at 0K	-996.568438
Energy at 298.15K
HF Energy	-996.148339
Nuclear repulsion energy	552.391515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	721	686	0.00
2	E_g	624	593	0.00
2	E_g	624	593	0.00
3	T_1u	930	884	439.06
3	T_1u	930	884	439.06
3	T_1u	930	884	439.06
4	T_1u	566	538	28.08
4	T_1u	566	538	28.08
4	T_1u	566	538	28.08
5	T_2g	479	456	0.00
5	T_2g	479	456	0.00
5	T_2g	479	456	0.00
6	T_2u	318	303	0.00
6	T_2u	318	303	0.00
6	T_2u	318	303	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.603
F3	0.000	1.603	0.000
F4	1.603	0.000	0.000
F5	0.000	-1.603	0.000
F6	-1.603	0.000	0.000
F7	0.000	0.000	-1.603

	S1	F2	F3	F4	F5	F6	F7
S1		1.6025	1.6025	1.6025	1.6025	1.6025	1.6025
F2	1.6025		2.2663	2.2663	2.2663	2.2663	3.2050
F3	1.6025	2.2663		2.2663	3.2050	2.2663	2.2663
F4	1.6025	2.2663	2.2663		2.2663	3.2050	2.2663
F5	1.6025	2.2663	3.2050	2.2663		2.2663	2.2663
F6	1.6025	2.2663	2.2663	3.2050	2.2663		2.2663
F7	1.6025	3.2050	2.2663	2.2663	2.2663	2.2663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	90.000	F2	S1	F4	90.000
F2	S1	F5	90.000	F2	S1	F6	90.000
F2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	180.000	F3	S1	F6	90.000
F3	S1	F7	90.000	F4	S1	F5	90.000
F4	S1	F6	180.000	F4	S1	F7	90.000
F5	S1	F6	90.000	F5	S1	F7	90.000
F6	S1	F7	90.000

All results from a given calculation for SF₆ (Sulfur Hexafluoride)

using model chemistry: B2PLYP=FULL/6-31+G**

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 SF6 (Sulfur Hexafluoride)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for SF₆ (Sulfur Hexafluoride)