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	hartrees
Energy at 0K	-1350.398976
Energy at 298.15K	-1350.401212
HF Energy	-1350.398976
Nuclear repulsion energy	575.922847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	765	760	202.67
2	A₁	558	555	2.87
3	A₁	407	404	82.63
4	A₁	252	251	1.17
5	B₁	315	313	0.00
6	B₂	555	552	0.00
7	B₂	187	186	0.00
8	E	815	811	168.38
8	E	815	811	168.38
9	E	367	365	15.59
9	E	367	365	15.59
10	E	261	259	2.43
10	E	261	259	2.43
11	E	136	136	0.76
11	E	136	136	0.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.339
Cl2	0.000	0.000	2.091
F3	0.000	1.721	-0.327
F4	1.721	0.000	-0.327
F5	0.000	-1.721	-0.327
F6	-1.721	0.000	-0.327
F7	0.000	0.000	-2.038

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.4302	1.7210	1.7210	1.7210	1.7210	1.6990
Cl2	2.4302		2.9679	2.9679	2.9679	2.9679	4.1292
F3	1.7210	2.9679		2.4338	3.4419	2.4338	2.4269
F4	1.7210	2.9679	2.4338		2.4338	3.4419	2.4269
F5	1.7210	2.9679	3.4419	2.4338		2.4338	2.4269
F6	1.7210	2.9679	2.4338	3.4419	2.4338		2.4269
F7	1.6990	4.1292	2.4269	2.4269	2.4269	2.4269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	89.593	Cl2	S1	F4	89.593
Cl2	S1	F5	89.593	Cl2	S1	F6	89.593
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.186	F3	S1	F6	89.997
F3	S1	F7	90.407	F4	S1	F5	89.997
F4	S1	F6	179.186	F4	S1	F7	90.407
F5	S1	F6	89.997	F5	S1	F7	90.407
F6	S1	F7	90.407

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

using model chemistry: BLYP/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	1.468
2	Cl	-0.181
3	F	-0.256
4	F	-0.256
5	F	-0.256
6	F	-0.256
7	F	-0.264

	x	y	z	Total
	0.000	0.000	-1.083	1.083
CHELPG
AIM
ESP

<r²>	256.163
(<r²>)^1/2	16.005

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

using model chemistry: BLYP/3-21G

States and conformations

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