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	hartrees
Energy at 0K	-1357.789819
Energy at 298.15K	-1357.793948
HF Energy	-1357.789819
Nuclear repulsion energy	634.476022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	831	831	443.96
2	A₁	686	686	19.68
3	A₁	584	584	72.84
4	A₁	376	376	7.49
5	B₁	491	491	0.00
6	B₂	606	606	0.00
7	B₂	327	327	0.00
8	E	891	891	352.20
8	E	891	891	352.20
9	E	564	564	12.72
9	E	564	564	12.72
10	E	427	427	0.76
10	E	427	427	0.76
11	E	258	258	0.01
11	E	258	258	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.266
Cl2	0.000	0.000	1.823
F3	0.000	1.587	-0.281
F4	1.587	0.000	-0.281
F5	0.000	-1.587	-0.281
F6	-1.587	0.000	-0.281
F7	0.000	0.000	-1.846

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0883	1.5872	1.5872	1.5872	1.5872	1.5804
Cl2	2.0883		2.6352	2.6352	2.6352	2.6352	3.6686
F3	1.5872	2.6352		2.2445	3.1742	2.2445	2.2289
F4	1.5872	2.6352	2.2445		2.2445	3.1742	2.2289
F5	1.5872	2.6352	3.1742	2.2445		2.2445	2.2289
F6	1.5872	2.6352	2.2445	3.1742	2.2445		2.2289
F7	1.5804	3.6686	2.2289	2.2289	2.2289	2.2289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.556	Cl2	S1	F4	90.556
Cl2	S1	F5	90.556	Cl2	S1	F6	90.556
Cl2	S1	F7	180.000	F3	S1	F4	89.995
F3	S1	F5	178.887	F3	S1	F6	89.995
F3	S1	F7	89.444	F4	S1	F5	89.995
F4	S1	F6	178.887	F4	S1	F7	89.444
F5	S1	F6	89.995	F5	S1	F7	89.444
F6	S1	F7	89.444

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

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

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	1.060
2	Cl	-0.102
3	F	-0.193
4	F	-0.193
5	F	-0.193
6	F	-0.193
7	F	-0.186

	x	y	z	Total
	0.000	0.000	0.427	0.427
CHELPG
AIM
ESP

<r²>	212.985
(<r²>)^1/2	14.594

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

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

States and conformations

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