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	hartrees
Energy at 0K	-1357.274417
Energy at 298.15K	-1357.278596
HF Energy	-1356.693811
Nuclear repulsion energy	634.488320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	848	811	444.21
2	A₁	693	663	14.43
3	A₁	589	563	81.29
4	A₁	391	374	5.33
5	B₁	488	467	0.00
6	B₂	622	594	0.00
7	B₂	329	314	0.00
8	E	908	868	350.52
8	E	908	868	350.52
9	E	563	538	14.40
9	E	563	538	14.40
10	E	428	409	0.90
10	E	428	409	0.90
11	E	260	249	0.01
11	E	260	249	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.815
F3	0.000	1.590	-0.280
F4	1.590	0.000	-0.280
F5	0.000	-1.590	-0.280
F6	-1.590	0.000	-0.280
F7	0.000	0.000	-1.844

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0776	1.5899	1.5899	1.5899	1.5899	1.5824
Cl2	2.0776		2.6301	2.6301	2.6301	2.6301	3.6599
F3	1.5899	2.6301		2.2483	3.1796	2.2483	2.2307
F4	1.5899	2.6301	2.2483		2.2483	3.1796	2.2307
F5	1.5899	2.6301	3.1796	2.2483		2.2483	2.2307
F6	1.5899	2.6301	2.2483	3.1796	2.2483		2.2307
F7	1.5824	3.6599	2.2307	2.2307	2.2307	2.2307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.634	Cl2	S1	F4	90.634
Cl2	S1	F5	90.634	Cl2	S1	F6	90.634
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.732	F3	S1	F6	89.993
F3	S1	F7	89.366	F4	S1	F5	89.993
F4	S1	F6	178.732	F4	S1	F7	89.366
F5	S1	F6	89.993	F5	S1	F7	89.366
F6	S1	F7	89.366

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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 SF5Cl (sulfur chloropentafluoride)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)