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	hartrees
Energy at 0K	-995.223763
Energy at 298.15K
HF Energy	-993.984844
Nuclear repulsion energy	558.040135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	773	735	0.00
2	E_g	687	653	0.00
2	E_g	687	653	0.00
3	T_1u	1022	971	383.09
3	T_1u	1022	971	383.09
3	T_1u	1022	971	383.09
4	T_1u	588	559	34.02
4	T_1u	588	559	34.02
4	T_1u	588	559	34.02
5	T_2g	501	476	0.00
5	T_2g	501	476	0.00
5	T_2g	501	476	0.00
6	T_2u	336	319	0.00
6	T_2u	336	319	0.00
6	T_2u	336	319	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.586
F3	0.000	1.586	0.000
F4	1.586	0.000	0.000
F5	0.000	-1.586	0.000
F6	-1.586	0.000	0.000
F7	0.000	0.000	-1.586

	S1	F2	F3	F4	F5	F6	F7
S1		1.5863	1.5863	1.5863	1.5863	1.5863	1.5863
F2	1.5863		2.2433	2.2433	2.2433	2.2433	3.1726
F3	1.5863	2.2433		2.2433	3.1726	2.2433	2.2433
F4	1.5863	2.2433	2.2433		2.2433	3.1726	2.2433
F5	1.5863	2.2433	3.1726	2.2433		2.2433	2.2433
F6	1.5863	2.2433	2.2433	3.1726	2.2433		2.2433
F7	1.5863	3.1726	2.2433	2.2433	2.2433	2.2433

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/6-31G*

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/6-31G*

States and conformations

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