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	hartrees
Energy at 0K	-996.972372
Energy at 298.15K
HF Energy	-996.972372
Nuclear repulsion energy	552.257180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	754	718	0.00	15.34	0.00	0.00
2	E_g	668	637	0.00	3.89	0.75	0.86
2	E_g	668	637	0.00	3.89	0.75	0.86
3	T_1u	999	951	416.04	0.00	0.00	0.00
3	T_1u	999	951	416.04	0.00	0.00	0.00
3	T_1u	999	951	416.04	0.00	0.00	0.00
4	T_1u	577	550	32.32	0.00	0.00	0.00
4	T_1u	577	550	32.32	0.00	0.00	0.00
4	T_1u	577	550	32.32	0.00	0.00	0.00
5	T_2g	481	458	0.00	2.33	0.75	0.86
5	T_2g	481	458	0.00	2.33	0.75	0.86
5	T_2g	481	458	0.00	2.33	0.75	0.86
6	T_2u	327	312	0.00	0.00	0.00	0.00
6	T_2u	327	312	0.00	0.00	0.00	0.00
6	T_2u	327	312	0.00	0.00	0.00	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		1.6029	1.6029	1.6029	1.6029	1.6029	1.6029
F2	1.6029		2.2668	2.2668	2.2668	2.2668	3.2058
F3	1.6029	2.2668		2.2668	3.2058	2.2668	2.2668
F4	1.6029	2.2668	2.2668		2.2668	3.2058	2.2668
F5	1.6029	2.2668	3.2058	2.2668		2.2668	2.2668
F6	1.6029	2.2668	2.2668	3.2058	2.2668		2.2668
F7	1.6029	3.2058	2.2668	2.2668	2.2668	2.2668

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: wB97X-D/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	S	1.431
2	F	-0.238
3	F	-0.238
4	F	-0.238
5	F	-0.238
6	F	-0.238
7	F	-0.238

<r²>	165.350
(<r²>)^1/2	12.859

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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