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	hartrees
Energy at 0K	-991.075109
Energy at 298.15K
HF Energy	-990.791841
Nuclear repulsion energy	533.372649

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	675	675	0.00	24.57	0.00	0.00
2	E_g	671	671	0.00	6.73	0.75	0.86
2	E_g	671	671	0.00	6.73	0.75	0.86
3	T_1u	990	990	255.55	0.00	0.00	0.00
3	T_1u	990	990	255.55	0.00	0.00	0.00
3	T_1u	990	990	255.55	0.00	0.00	0.00
4	T_1u	454	454	49.49	0.00	0.00	0.00
4	T_1u	454	454	49.49	0.00	0.00	0.00
4	T_1u	454	454	49.49	0.00	0.00	0.00
5	T_2g	382	382	0.00	3.59	0.75	0.86
5	T_2g	382	382	0.00	3.59	0.75	0.86
5	T_2g	382	382	0.00	3.59	0.75	0.86
6	T_2u	248	248	0.00	0.00	0.00	0.00
6	T_2u	248	248	0.00	0.00	0.00	0.00
6	T_2u	248	248	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	1.660
F3	0.000	1.660	0.000
F4	1.660	0.000	0.000
F5	0.000	-1.660	0.000
F6	-1.660	0.000	0.000
F7	0.000	0.000	-1.660

	S1	F2	F3	F4	F5	F6	F7
S1		1.6597	1.6597	1.6597	1.6597	1.6597	1.6597
F2	1.6597		2.3471	2.3471	2.3471	2.3471	3.3193
F3	1.6597	2.3471		2.3471	3.3193	2.3471	2.3471
F4	1.6597	2.3471	2.3471		2.3471	3.3193	2.3471
F5	1.6597	2.3471	3.3193	2.3471		2.3471	2.3471
F6	1.6597	2.3471	2.3471	3.3193	2.3471		2.3471
F7	1.6597	3.3193	2.3471	2.3471	2.3471	2.3471

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=FULLultrafine/3-21G

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=FULLultrafine/3-21G

States and conformations

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