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	hartrees
Energy at 0K	-1357.611423
Energy at 298.15K	-1357.615445
HF Energy	-1357.611423
Nuclear repulsion energy	633.150809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	838	804	449.90
2	A₁	677	649	11.46
3	A₁	577	553	102.93
4	A₁	387	371	3.69
5	B₁	469	449	0.00
6	B₂	615	590	0.00
7	B₂	321	308	0.00
8	E	902	864	376.46
8	E	902	864	376.46
9	E	546	523	21.94
9	E	546	523	21.94
10	E	413	396	1.90
10	E	413	396	1.90
11	E	253	242	0.05
11	E	253	242	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.815
F3	0.000	1.595	-0.280
F4	1.595	0.000	-0.280
F5	0.000	-1.595	-0.280
F6	-1.595	0.000	-0.280
F7	0.000	0.000	-1.846

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0734	1.5954	1.5954	1.5954	1.5954	1.5876
Cl2	2.0734		2.6333	2.6333	2.6333	2.6333	3.6610
F3	1.5954	2.6333		2.2560	3.1904	2.2560	2.2353
F4	1.5954	2.6333	2.2560		2.2560	3.1904	2.2353
F5	1.5954	2.6333	3.1904	2.2560		2.2560	2.2353
F6	1.5954	2.6333	2.2560	3.1904	2.2560		2.2353
F7	1.5876	3.6610	2.2353	2.2353	2.2353	2.2353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.784	Cl2	S1	F4	90.784
Cl2	S1	F5	90.784	Cl2	S1	F6	90.784
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.432	F3	S1	F6	89.989
F3	S1	F7	89.216	F4	S1	F5	89.989
F4	S1	F6	178.432	F4	S1	F7	89.216
F5	S1	F6	89.989	F5	S1	F7	89.216
F6	S1	F7	89.216

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

using model chemistry: B1B95/6-311G*

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	1.396
2	Cl	-0.071
3	F	-0.265
4	F	-0.265
5	F	-0.265
6	F	-0.265
7	F	-0.263

	x	y	z	Total
	0.000	0.000	0.700	0.700
CHELPG
AIM
ESP

<r²>	214.120
(<r²>)^1/2	14.633

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

using model chemistry: B1B95/6-311G*

States and conformations

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