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	hartrees
Energy at 0K	-1356.986821
Energy at 298.15K	-1356.990654
HF Energy	-1356.986821
Nuclear repulsion energy	628.493471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	788	778	425.93
2	A₁	648	640	14.56
3	A₁	553	546	57.02
4	A₁	362	357	7.40
5	B₁	463	458	0.00
6	B₂	573	566	0.00
7	B₂	308	304	0.00
8	E	847	836	345.30
8	E	847	836	345.30
9	E	532	526	9.29
9	E	532	526	9.29
10	E	405	400	0.58
10	E	405	400	0.58
11	E	245	242	0.00
11	E	245	242	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.263
Cl2	0.000	0.000	1.803
F3	0.000	1.592	-0.271
F4	1.592	0.000	-0.271
F5	0.000	-1.592	-0.271
F6	-1.592	0.000	-0.271
F7	0.000	0.000	-1.852

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0659	1.5920	1.5920	1.5920	1.5920	1.5885
Cl2	2.0659		2.6147	2.6147	2.6147	2.6147	3.6545
F3	1.5920	2.6147		2.2514	3.1839	2.2514	2.2431
F4	1.5920	2.6147	2.2514		2.2514	3.1839	2.2431
F5	1.5920	2.6147	3.1839	2.2514		2.2514	2.2431
F6	1.5920	2.6147	2.2514	3.1839	2.2514		2.2431
F7	1.5885	3.6545	2.2431	2.2431	2.2431	2.2431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.296	Cl2	S1	F4	90.296
Cl2	S1	F5	90.296	Cl2	S1	F6	90.296
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.407	F3	S1	F6	89.998
F3	S1	F7	89.704	F4	S1	F5	89.998
F4	S1	F6	179.407	F4	S1	F7	89.704
F5	S1	F6	89.998	F5	S1	F7	89.704
F6	S1	F7	89.704

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.761
2	Cl	-0.071
3	F	-0.137
4	F	-0.137
5	F	-0.137
6	F	-0.137
7	F	-0.144

	x	y	z	Total
	0.000	0.000	0.477	0.477
CHELPG
AIM
ESP

<r²>	216.085
(<r²>)^1/2	14.700

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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