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	hartrees
Energy at 0K	-1357.222399
Energy at 298.15K	-1357.226618
HF Energy	-1357.222399
Nuclear repulsion energy	635.654642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	918	869	428.15
2	A₁	736	697	4.00
3	A₁	596	564	113.20
4	A₁	410	388	2.44
5	B₁	485	459	0.00
6	B₂	675	639	0.00
7	B₂	331	313	0.00
8	E	999	946	349.02
8	E	999	946	349.02
9	E	557	528	19.57
9	E	557	528	19.57
10	E	425	403	1.96
10	E	425	403	1.96
11	E	257	244	0.09
11	E	257	244	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.258
Cl2	0.000	0.000	1.806
F3	0.000	1.589	-0.278
F4	1.589	0.000	-0.278
F5	0.000	-1.589	-0.278
F6	-1.589	0.000	-0.278
F7	0.000	0.000	-1.840

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0639	1.5892	1.5892	1.5892	1.5892	1.5826
Cl2	2.0639		2.6213	2.6213	2.6213	2.6213	3.6466
F3	1.5892	2.6213		2.2473	3.1781	2.2473	2.2281
F4	1.5892	2.6213	2.2473		2.2473	3.1781	2.2281
F5	1.5892	2.6213	3.1781	2.2473		2.2473	2.2281
F6	1.5892	2.6213	2.2473	3.1781	2.2473		2.2281
F7	1.5826	3.6466	2.2281	2.2281	2.2281	2.2281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.748	Cl2	S1	F4	90.748
Cl2	S1	F5	90.748	Cl2	S1	F6	90.748
Cl2	S1	F7	180.000	F3	S1	F4	89.990
F3	S1	F5	178.504	F3	S1	F6	89.990
F3	S1	F7	89.252	F4	S1	F5	89.990
F4	S1	F6	178.504	F4	S1	F7	89.252
F5	S1	F6	89.990	F5	S1	F7	89.252
F6	S1	F7	89.252

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

using model chemistry: M06-2X/6-31G*

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	1.516
2	Cl	-0.055
3	F	-0.294
4	F	-0.294
5	F	-0.294
6	F	-0.294
7	F	-0.284

	x	y	z	Total
	0.000	0.000	0.336	0.336
CHELPG
AIM
ESP

<r²>	211.778
(<r²>)^1/2	14.553

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

using model chemistry: M06-2X/6-31G*

States and conformations

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