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	hartrees
Energy at 0K	-1357.794889
Energy at 298.15K	-1357.799458
HF Energy	-1357.794889
Nuclear repulsion energy	634.185394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	823	823	422.34
2	A₁	682	682	21.33
3	A₁	581	581	69.50
4	A₁	376	376	6.71
5	B₁	488	488	0.00
6	B₂	601	601	0.00
7	B₂	326	326	0.00
8	E	879	879	322.24
8	E	879	879	322.24
9	E	561	561	11.59
9	E	561	561	11.59
10	E	425	425	0.58
10	E	425	425	0.58
11	E	257	257	0.00
11	E	257	257	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.822
F3	0.000	1.588	-0.281
F4	1.588	0.000	-0.281
F5	0.000	-1.588	-0.281
F6	-1.588	0.000	-0.281
F7	0.000	0.000	-1.846

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0867	1.5885	1.5885	1.5885	1.5885	1.5815
Cl2	2.0867		2.6356	2.6356	2.6356	2.6356	3.6682
F3	1.5885	2.6356		2.2464	3.1769	2.2464	2.2299
F4	1.5885	2.6356	2.2464		2.2464	3.1769	2.2299
F5	1.5885	2.6356	3.1769	2.2464		2.2464	2.2299
F6	1.5885	2.6356	2.2464	3.1769	2.2464		2.2299
F7	1.5815	3.6682	2.2299	2.2299	2.2299	2.2299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.592	Cl2	S1	F4	90.592
Cl2	S1	F5	90.592	Cl2	S1	F6	90.592
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.815	F3	S1	F6	89.994
F3	S1	F7	89.408	F4	S1	F5	89.994
F4	S1	F6	178.815	F4	S1	F7	89.408
F5	S1	F6	89.994	F5	S1	F7	89.408
F6	S1	F7	89.408

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

using model chemistry: B3LYPultrafine/aug-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	0.803
2	Cl	-0.097
3	F	-0.138
4	F	-0.138
5	F	-0.138
6	F	-0.138
7	F	-0.155

	x	y	z	Total
	0.000	0.000	0.455	0.455
CHELPG
AIM
ESP

<r²>	213.283
(<r²>)^1/2	14.604

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

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

States and conformations

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