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	hartrees
Energy at 0K	-996.044014
Energy at 298.15K
HF Energy	-994.324370
Nuclear repulsion energy	569.358779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	815	815	0.00
2	E_g	676	676	0.00
2	E_g	676	676	0.00
3	T_1u	1005	1005	437.12
3	T_1u	1005	1005	437.12
3	T_1u	1005	1005	437.12
4	T_1u	638	638	33.10
4	T_1u	638	638	33.10
4	T_1u	638	638	33.10
5	T_2g	541	541	0.00
5	T_2g	541	541	0.00
5	T_2g	541	541	0.00
6	T_2u	361	361	0.00
6	T_2u	361	361	0.00
6	T_2u	361	361	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.555
F3	0.000	1.555	0.000
F4	1.555	0.000	0.000
F5	0.000	-1.555	0.000
F6	-1.555	0.000	0.000
F7	0.000	0.000	-1.555

	S1	F2	F3	F4	F5	F6	F7
S1		1.5548	1.5548	1.5548	1.5548	1.5548	1.5548
F2	1.5548		2.1988	2.1988	2.1988	2.1988	3.1095
F3	1.5548	2.1988		2.1988	3.1095	2.1988	2.1988
F4	1.5548	2.1988	2.1988		2.1988	3.1095	2.1988
F5	1.5548	2.1988	3.1095	2.1988		2.1988	2.1988
F6	1.5548	2.1988	2.1988	3.1095	2.1988		2.1988
F7	1.5548	3.1095	2.1988	2.1988	2.1988	2.1988

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/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: CCSD/cc-pV(T+d)Z

States and conformations

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