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	hartrees
Energy at 0K	-1357.493584
Energy at 298.15K	-1357.497718
HF Energy	-1357.493584
Nuclear repulsion energy	629.491867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	895	861	433.71
2	A₁	708	681	3.10
3	A₁	584	561	101.18
4	A₁	399	383	2.92
5	B₁	461	443	0.00
6	B₂	659	634	0.00
7	B₂	324	312	0.00
8	E	971	934	357.24
8	E	971	934	357.24
9	E	539	518	20.35
9	E	539	518	20.35
10	E	412	396	1.32
10	E	412	396	1.32
11	E	255	245	0.05
11	E	255	245	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.256
Cl2	0.000	0.000	1.813
F3	0.000	1.609	-0.278
F4	1.609	0.000	-0.278
F5	0.000	-1.609	-0.278
F6	-1.609	0.000	-0.278
F7	0.000	0.000	-1.858

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0685	1.6087	1.6087	1.6087	1.6087	1.6025
Cl2	2.0685		2.6379	2.6379	2.6379	2.6379	3.6710
F3	1.6087	2.6379		2.2748	3.2171	2.2748	2.2548
F4	1.6087	2.6379	2.2748		2.2748	3.2171	2.2548
F5	1.6087	2.6379	3.2171	2.2748		2.2748	2.2548
F6	1.6087	2.6379	2.2748	3.2171	2.2748		2.2548
F7	1.6025	3.6710	2.2548	2.2548	2.2548	2.2548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.793	Cl2	S1	F4	90.793
Cl2	S1	F5	90.793	Cl2	S1	F6	90.793
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.413	F3	S1	F6	89.989
F3	S1	F7	89.207	F4	S1	F5	89.989
F4	S1	F6	178.413	F4	S1	F7	89.207
F5	S1	F6	89.989	F5	S1	F7	89.207
F6	S1	F7	89.207

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

using model chemistry: B1B95/cc-pVDZ

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	1.243
2	Cl	-0.057
3	F	-0.236
4	F	-0.236
5	F	-0.236
6	F	-0.236
7	F	-0.240

	x	y	z	Total
	0.000	0.000	0.686	0.686
CHELPG
AIM
ESP

<r²>	215.032
(<r²>)^1/2	14.664

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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