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	hartrees
Energy at 0K	-996.335191
Energy at 298.15K
HF Energy	-994.298330
Nuclear repulsion energy	569.775439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	811	811	0.00
2	E_g	673	673	0.00
2	E_g	673	673	0.00
3	T_1u	998	998	421.66
3	T_1u	998	998	421.66
3	T_1u	998	998	421.66
4	T_1u	641	641	28.18
4	T_1u	641	641	28.18
4	T_1u	641	641	28.18
5	T_2g	540	540	0.00
5	T_2g	540	540	0.00
5	T_2g	540	540	0.00
6	T_2u	363	363	0.00
6	T_2u	363	363	0.00
6	T_2u	363	363	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.554
F3	0.000	1.554	0.000
F4	1.554	0.000	0.000
F5	0.000	-1.554	0.000
F6	-1.554	0.000	0.000
F7	0.000	0.000	-1.554

	S1	F2	F3	F4	F5	F6	F7
S1		1.5536	1.5536	1.5536	1.5536	1.5536	1.5536
F2	1.5536		2.1971	2.1971	2.1971	2.1971	3.1072
F3	1.5536	2.1971		2.1971	3.1072	2.1971	2.1971
F4	1.5536	2.1971	2.1971		2.1971	3.1072	2.1971
F5	1.5536	2.1971	3.1072	2.1971		2.1971	2.1971
F6	1.5536	2.1971	2.1971	3.1072	2.1971		2.1971
F7	1.5536	3.1072	2.1971	2.1971	2.1971	2.1971

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: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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