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	hartrees
Energy at 0K	-996.085846
Energy at 298.15K
HF Energy	-995.771817
Nuclear repulsion energy	510.199873

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	598	598	0.00	31.08	0.00	0.00
2	E_g	580	580	0.00	10.18	0.75	0.86
2	E_g	580	580	0.00	10.18	0.75	0.86
3	T_1u	866	866	224.70	0.00	0.00	0.00
3	T_1u	866	866	224.70	0.00	0.00	0.00
3	T_1u	866	866	224.70	0.00	0.00	0.00
4	T_1u	395	395	36.59	0.00	0.00	0.00
4	T_1u	395	395	36.59	0.00	0.00	0.00
4	T_1u	395	395	36.59	0.00	0.00	0.00
5	T_2g	332	332	0.00	5.00	0.75	0.86
5	T_2g	332	332	0.00	5.00	0.75	0.86
5	T_2g	332	332	0.00	5.00	0.75	0.86
6	T_2u	218	218	0.00	0.00	0.00	0.00
6	T_2u	218	218	0.00	0.00	0.00	0.00
6	T_2u	218	218	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	1.735
F3	0.000	1.735	0.000
F4	1.735	0.000	0.000
F5	0.000	-1.735	0.000
F6	-1.735	0.000	0.000
F7	0.000	0.000	-1.735

	S1	F2	F3	F4	F5	F6	F7
S1		1.7350	1.7350	1.7350	1.7350	1.7350	1.7350
F2	1.7350		2.4537	2.4537	2.4537	2.4537	3.4701
F3	1.7350	2.4537		2.4537	3.4701	2.4537	2.4537
F4	1.7350	2.4537	2.4537		2.4537	3.4701	2.4537
F5	1.7350	2.4537	3.4701	2.4537		2.4537	2.4537
F6	1.7350	2.4537	2.4537	3.4701	2.4537		2.4537
F7	1.7350	3.4701	2.4537	2.4537	2.4537	2.4537

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/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: B2PLYP=FULLultrafine/6-31G

States and conformations

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