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	hartrees
Energy at 0K	-997.118085
Energy at 298.15K
HF Energy	-996.488604
Nuclear repulsion energy	563.584244

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	762	762	0.00	16.10	0.00	0.00
2	E_g	635	635	0.00	3.22	0.75	0.86
2	E_g	635	635	0.00	3.22	0.75	0.86
3	T_1u	943	943	438.54	0.00	0.00	0.00
3	T_1u	943	943	438.54	0.00	0.00	0.00
3	T_1u	943	943	438.54	0.00	0.00	0.00
4	T_1u	607	607	26.46	0.00	0.00	0.00
4	T_1u	607	607	26.46	0.00	0.00	0.00
4	T_1u	607	607	26.46	0.00	0.00	0.00
5	T_2g	516	516	0.00	1.60	0.75	0.86
5	T_2g	516	516	0.00	1.60	0.75	0.86
5	T_2g	516	516	0.00	1.60	0.75	0.86
6	T_2u	342	342	0.00	0.00	0.00	0.00
6	T_2u	342	342	0.00	0.00	0.00	0.00
6	T_2u	342	342	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	1.571
F3	0.000	1.571	0.000
F4	1.571	0.000	0.000
F5	0.000	-1.571	0.000
F6	-1.571	0.000	0.000
F7	0.000	0.000	-1.571

	S1	F2	F3	F4	F5	F6	F7
S1		1.5707	1.5707	1.5707	1.5707	1.5707	1.5707
F2	1.5707		2.2213	2.2213	2.2213	2.2213	3.1414
F3	1.5707	2.2213		2.2213	3.1414	2.2213	2.2213
F4	1.5707	2.2213	2.2213		2.2213	3.1414	2.2213
F5	1.5707	2.2213	3.1414	2.2213		2.2213	2.2213
F6	1.5707	2.2213	2.2213	3.1414	2.2213		2.2213
F7	1.5707	3.1414	2.2213	2.2213	2.2213	2.2213

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/Def2TZVPP

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/Def2TZVPP

States and conformations

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