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	hartrees
Energy at 0K	-1357.758976
Energy at 298.15K	-1357.763214
HF Energy	-1357.758976
Nuclear repulsion energy	638.666790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	867	831	427.87
2	A₁	711	681	14.25
3	A₁	594	569	84.28
4	A₁	400	383	3.60
5	B₁	489	468	0.00
6	B₂	636	609	0.00
7	B₂	332	318	0.00
8	E	930	892	336.02
8	E	930	892	336.02
9	E	565	541	14.41
9	E	565	541	14.41
10	E	429	411	0.76
10	E	429	411	0.76
11	E	263	252	0.00
11	E	263	252	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.258
Cl2	0.000	0.000	1.800
F3	0.000	1.581	-0.277
F4	1.581	0.000	-0.277
F5	0.000	-1.581	-0.277
F6	-1.581	0.000	-0.277
F7	0.000	0.000	-1.832

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0576	1.5808	1.5808	1.5808	1.5808	1.5746
Cl2	2.0576		2.6103	2.6103	2.6103	2.6103	3.6321
F3	1.5808	2.6103		2.2354	3.1614	2.2354	2.2173
F4	1.5808	2.6103	2.2354		2.2354	3.1614	2.2173
F5	1.5808	2.6103	3.1614	2.2354		2.2354	2.2173
F6	1.5808	2.6103	2.2354	3.1614	2.2354		2.2173
F7	1.5746	3.6321	2.2173	2.2173	2.2173	2.2173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.712	Cl2	S1	F4	90.712
Cl2	S1	F5	90.712	Cl2	S1	F6	90.712
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.575	F3	S1	F6	89.991
F3	S1	F7	89.288	F4	S1	F5	89.991
F4	S1	F6	178.575	F4	S1	F7	89.288
F5	S1	F6	89.991	F5	S1	F7	89.288
F6	S1	F7	89.288

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

using model chemistry: B1B95/aug-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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Number	Element	Mulliken
1	S	2.156
2	Cl	-0.193
3	F	-0.389
4	F	-0.389
5	F	-0.389
6	F	-0.389
7	F	-0.407

	x	y	z	Total
	0.000	0.000	0.551	0.551
CHELPG
AIM
ESP

<r²>	210.214
(<r²>)^1/2	14.499

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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