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	hartrees
Energy at 0K	-1357.073439
Energy at 298.15K	-1357.077412
HF Energy	-1356.627077
Nuclear repulsion energy	626.118397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	811	774	462.10
2	A₁	650	620	9.86
3	A₁	566	540	70.03
4	A₁	380	362	2.70
5	B₁	471	450	0.00
6	B₂	593	566	0.00
7	B₂	319	304	0.00
8	E	880	840	390.12
8	E	880	840	390.12
9	E	542	517	14.83
9	E	542	517	14.83
10	E	413	394	1.27
10	E	413	394	1.27
11	E	250	239	0.02
11	E	250	239	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.837
F3	0.000	1.612	-0.285
F4	1.612	0.000	-0.285
F5	0.000	-1.612	-0.285
F6	-1.612	0.000	-0.285
F7	0.000	0.000	-1.867

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0977	1.6124	1.6124	1.6124	1.6124	1.6071
Cl2	2.0977		2.6655	2.6655	2.6655	2.6655	3.7048
F3	1.6124	2.6655		2.2800	3.2244	2.2800	2.2588
F4	1.6124	2.6655	2.2800		2.2800	3.2244	2.2588
F5	1.6124	2.6655	3.2244	2.2800		2.2800	2.2588
F6	1.6124	2.6655	2.2800	3.2244	2.2800		2.2588
F7	1.6071	3.7048	2.2588	2.2588	2.2588	2.2588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.887	Cl2	S1	F4	90.887
Cl2	S1	F5	90.887	Cl2	S1	F6	90.887
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.226	F3	S1	F6	89.986
F3	S1	F7	89.113	F4	S1	F5	89.986
F4	S1	F6	178.226	F4	S1	F7	89.113
F5	S1	F6	89.986	F5	S1	F7	89.113
F6	S1	F7	89.113

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

using model chemistry: B2PLYP/TZVP

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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Number	Element	Mulliken
1	S	0.984
2	Cl	-0.019
3	F	-0.190
4	F	-0.190
5	F	-0.190
6	F	-0.190
7	F	-0.204

	x	y	z	Total
	0.000	0.000	0.935	0.935
CHELPG
AIM
ESP

<r²>	218.416
(<r²>)^1/2	14.779

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

using model chemistry: B2PLYP/TZVP

States and conformations

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