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	hartrees
Energy at 0K	-996.810669
Energy at 298.15K
HF Energy	-996.287437
Nuclear repulsion energy	555.306181

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	706	706	0.00	18.33	0.00	0.00
2	E_g	613	613	0.00	4.15	0.75	0.86
2	E_g	613	613	0.00	4.15	0.75	0.86
3	T_1u	914	914	425.61	0.00	0.00	0.00
3	T_1u	914	914	425.61	0.00	0.00	0.00
3	T_1u	914	914	425.61	0.00	0.00	0.00
4	T_1u	575	575	32.06	0.00	0.00	0.00
4	T_1u	575	575	32.06	0.00	0.00	0.00
4	T_1u	575	575	32.06	0.00	0.00	0.00
5	T_2g	486	486	0.00	2.52	0.75	0.86
5	T_2g	486	486	0.00	2.52	0.75	0.86
5	T_2g	486	486	0.00	2.52	0.75	0.86
6	T_2u	325	325	0.00	0.00	0.00	0.00
6	T_2u	325	325	0.00	0.00	0.00	0.00
6	T_2u	325	325	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	1.594
F3	0.000	1.594	0.000
F4	1.594	0.000	0.000
F5	0.000	-1.594	0.000
F6	-1.594	0.000	0.000
F7	0.000	0.000	-1.594

	S1	F2	F3	F4	F5	F6	F7
S1		1.5941	1.5941	1.5941	1.5941	1.5941	1.5941
F2	1.5941		2.2544	2.2544	2.2544	2.2544	3.1882
F3	1.5941	2.2544		2.2544	3.1882	2.2544	2.2544
F4	1.5941	2.2544	2.2544		2.2544	3.1882	2.2544
F5	1.5941	2.2544	3.1882	2.2544		2.2544	2.2544
F6	1.5941	2.2544	2.2544	3.1882	2.2544		2.2544
F7	1.5941	3.1882	2.2544	2.2544	2.2544	2.2544

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/6-311G**

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/6-311G**

States and conformations

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