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	hartrees
Energy at 0K	-1356.766307
Energy at 298.15K	-1356.769869
HF Energy	-1356.766307
Nuclear repulsion energy	614.615656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	777	772	374.63
2	A₁	618	614	2.88
3	A₁	524	521	58.09
4	A₁	356	354	2.97
5	B₁	417	414	0.00
6	B₂	572	568	0.00
7	B₂	289	287	0.00
8	E	849	843	305.63
8	E	849	843	305.63
9	E	487	484	8.48
9	E	487	484	8.48
10	E	370	368	0.34
10	E	370	368	0.34
11	E	228	227	0.00
11	E	228	227	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.853
F3	0.000	1.648	-0.284
F4	1.648	0.000	-0.284
F5	0.000	-1.648	-0.284
F6	-1.648	0.000	-0.284
F7	0.000	0.000	-1.904

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1132	1.6486	1.6486	1.6486	1.6486	1.6441
Cl2	2.1132		2.6989	2.6989	2.6989	2.6989	3.7572
F3	1.6486	2.6989		2.3313	3.2969	2.3313	2.3114
F4	1.6486	2.6989	2.3313		2.3313	3.2969	2.3114
F5	1.6486	2.6989	3.2969	2.3313		2.3313	2.3114
F6	1.6486	2.6989	2.3313	3.2969	2.3313		2.3114
F7	1.6441	3.7572	2.3114	2.3114	2.3114	2.3114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.826	Cl2	S1	F4	90.826
Cl2	S1	F5	90.826	Cl2	S1	F6	90.826
Cl2	S1	F7	180.000	F3	S1	F4	89.988
F3	S1	F5	178.348	F3	S1	F6	89.988
F3	S1	F7	89.174	F4	S1	F5	89.988
F4	S1	F6	178.348	F4	S1	F7	89.174
F5	S1	F6	89.988	F5	S1	F7	89.174
F6	S1	F7	89.174

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

using model chemistry: PBEPBE/aug-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	2.058
2	Cl	-0.113
3	F	-0.379
4	F	-0.379
5	F	-0.379
6	F	-0.379
7	F	-0.431

	x	y	z	Total
	0.000	0.000	0.781	0.781
CHELPG
AIM
ESP

<r²>	224.513
(<r²>)^1/2	14.984

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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