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	hartrees
Energy at 0K	-996.233148
Energy at 298.15K
HF Energy	-994.322361
Nuclear repulsion energy	567.109089

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	790	749	0.00	13.56	0.00	0.00
2	E_g	657	623	0.00	2.68	0.75	0.86
2	E_g	657	623	0.00	2.68	0.75	0.86
3	T_1u	977	926	435.86	0.00	0.00	0.00
3	T_1u	977	926	435.86	0.00	0.00	0.00
3	T_1u	977	926	435.86	0.00	0.00	0.00
4	T_1u	626	594	28.64	0.00	0.00	0.00
4	T_1u	626	594	28.64	0.00	0.00	0.00
4	T_1u	626	594	28.64	0.00	0.00	0.00
5	T_2g	532	504	0.00	1.56	0.75	0.86
5	T_2g	532	504	0.00	1.56	0.75	0.86
5	T_2g	532	504	0.00	1.56	0.75	0.86
6	T_2u	354	336	0.00	0.00	0.00	0.00
6	T_2u	354	336	0.00	0.00	0.00	0.00
6	T_2u	354	336	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	1.561
F3	0.000	1.561	0.000
F4	1.561	0.000	0.000
F5	0.000	-1.561	0.000
F6	-1.561	0.000	0.000
F7	0.000	0.000	-1.561

	S1	F2	F3	F4	F5	F6	F7
S1		1.5609	1.5609	1.5609	1.5609	1.5609	1.5609
F2	1.5609		2.2075	2.2075	2.2075	2.2075	3.1218
F3	1.5609	2.2075		2.2075	3.1218	2.2075	2.2075
F4	1.5609	2.2075	2.2075		2.2075	3.1218	2.2075
F5	1.5609	2.2075	3.1218	2.2075		2.2075	2.2075
F6	1.5609	2.2075	2.2075	3.1218	2.2075		2.2075
F7	1.5609	3.1218	2.2075	2.2075	2.2075	2.2075

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/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

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