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	hartrees
Energy at 0K	-995.529396
Energy at 298.15K
HF Energy	-994.071482
Nuclear repulsion energy	550.011978

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	721	699	0.00	23.42	0.00	0.00
2	E_g	639	620	0.00	4.27	0.75	0.86
2	E_g	639	620	0.00	4.27	0.75	0.86
3	T_1u	954	924	388.96	0.00	0.00	0.00
3	T_1u	954	924	388.96	0.00	0.00	0.00
3	T_1u	954	924	388.96	0.00	0.00	0.00
4	T_1u	567	549	24.98	0.00	0.00	0.00
4	T_1u	567	549	24.98	0.00	0.00	0.00
4	T_1u	567	549	24.98	0.00	0.00	0.00
5	T_2g	474	459	0.00	1.41	0.75	0.86
5	T_2g	474	459	0.00	1.41	0.75	0.86
5	T_2g	474	459	0.00	1.41	0.75	0.86
6	T_2u	321	311	0.00	0.00	0.00	0.00
6	T_2u	321	311	0.00	0.00	0.00	0.00
6	T_2u	321	311	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	1.609
F3	0.000	1.609	0.000
F4	1.609	0.000	0.000
F5	0.000	-1.609	0.000
F6	-1.609	0.000	0.000
F7	0.000	0.000	-1.609

	S1	F2	F3	F4	F5	F6	F7
S1		1.6094	1.6094	1.6094	1.6094	1.6094	1.6094
F2	1.6094		2.2761	2.2761	2.2761	2.2761	3.2189
F3	1.6094	2.2761		2.2761	3.2189	2.2761	2.2761
F4	1.6094	2.2761	2.2761		2.2761	3.2189	2.2761
F5	1.6094	2.2761	3.2189	2.2761		2.2761	2.2761
F6	1.6094	2.2761	2.2761	3.2189	2.2761		2.2761
F7	1.6094	3.2189	2.2761	2.2761	2.2761	2.2761

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: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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