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	hartrees
Energy at 0K	-1350.113068
Energy at 298.15K	-1350.117273
HF Energy	-1349.822649
Nuclear repulsion energy	635.230422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	943	943	415.56
2	A₁	740	740	1.08
3	A₁	590	590	146.52
4	A₁	387	387	11.98
5	B₁	479	479	0.00
6	B₂	700	700	0.00
7	B₂	324	324	0.00
8	E	1030	1030	305.79
8	E	1030	1030	305.79
9	E	549	549	30.14
9	E	549	549	30.14
10	E	421	421	3.54
10	E	421	421	3.54
11	E	254	254	0.28
11	E	254	254	0.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.261
Cl2	0.000	0.000	1.804
F3	0.000	1.591	-0.275
F4	1.591	0.000	-0.275
F5	0.000	-1.591	-0.275
F6	-1.591	0.000	-0.275
F7	0.000	0.000	-1.845

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0644	1.5908	1.5908	1.5908	1.5908	1.5842
Cl2	2.0644		2.6173	2.6173	2.6173	2.6173	3.6487
F3	1.5908	2.6173		2.2496	3.1814	2.2496	2.2352
F4	1.5908	2.6173	2.2496		2.2496	3.1814	2.2352
F5	1.5908	2.6173	3.1814	2.2496		2.2496	2.2352
F6	1.5908	2.6173	2.2496	3.1814	2.2496		2.2352
F7	1.5842	3.6487	2.2352	2.2352	2.2352	2.2352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.502	Cl2	S1	F4	90.502
Cl2	S1	F5	90.502	Cl2	S1	F6	90.502
Cl2	S1	F7	180.000	F3	S1	F4	89.996
F3	S1	F5	178.995	F3	S1	F6	89.996
F3	S1	F7	89.498	F4	S1	F5	89.996
F4	S1	F6	178.995	F4	S1	F7	89.498
F5	S1	F6	89.996	F5	S1	F7	89.498
F6	S1	F7	89.498

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

using model chemistry: B2PLYP/3-21G*

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	1.640
2	Cl	-0.172
3	F	-0.293
4	F	-0.293
5	F	-0.293
6	F	-0.293
7	F	-0.294

	x	y	z	Total
	0.000	0.000	0.118	0.118
CHELPG
AIM
ESP

<r²>	212.123
(<r²>)^1/2	14.564

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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