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	hartrees
Energy at 0K	-1340.607467
Energy at 298.15K	-1340.609855
HF Energy	-1340.607467
Nuclear repulsion energy	583.990007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	869	763	192.78
2	A₁	637	560	0.31
3	A₁	448	393	73.63
4	A₁	325	285	0.19
5	B₁	333	292	0.00
6	B₂	620	545	0.00
7	B₂	225	198	0.00
8	E	958	842	130.30
8	E	958	842	130.30
9	E	383	336	21.15
9	E	383	336	21.15
10	E	294	258	1.69
10	E	294	258	1.69
11	E	180	158	1.50
11	E	180	158	1.50

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.296
Cl2	0.000	0.000	1.990
F3	0.000	1.719	-0.305
F4	1.719	0.000	-0.305
F5	0.000	-1.719	-0.305
F6	-1.719	0.000	-0.305
F7	0.000	0.000	-2.013

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2862	1.7192	1.7192	1.7192	1.7192	1.7170
Cl2	2.2862		2.8679	2.8679	2.8679	2.8679	4.0031
F3	1.7192	2.8679		2.4313	3.4384	2.4313	2.4231
F4	1.7192	2.8679	2.4313		2.4313	3.4384	2.4231
F5	1.7192	2.8679	3.4384	2.4313		2.4313	2.4231
F6	1.7192	2.8679	2.4313	3.4384	2.4313		2.4231
F7	1.7170	4.0031	2.4231	2.4231	2.4231	2.4231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.312	Cl2	S1	F4	90.312
Cl2	S1	F5	90.312	Cl2	S1	F6	90.312
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.376	F3	S1	F6	89.998
F3	S1	F7	89.688	F4	S1	F5	89.998
F4	S1	F6	179.376	F4	S1	F7	89.688
F5	S1	F6	89.998	F5	S1	F7	89.688
F6	S1	F7	89.688

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

using model chemistry: mPW1PW91/STO-3G

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	1.031
2	Cl	-0.346
3	F	-0.134
4	F	-0.134
5	F	-0.134
6	F	-0.134
7	F	-0.149

	x	y	z	Total
	0.000	0.000	-2.874	2.874
CHELPG
AIM
ESP

<r²>	243.858
(<r²>)^1/2	15.616

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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