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	hartrees
Energy at 0K	-1356.973935
Energy at 298.15K	-1356.978278
HF Energy	-1356.973935
Nuclear repulsion energy	628.686371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	785	785	400.73
2	A₁	649	649	15.41
3	A₁	554	554	57.18
4	A₁	363	363	7.52
5	B₁	465	465	0.00
6	B₂	573	573	0.00
7	B₂	310	310	0.00
8	E	843	843	301.76
8	E	843	843	301.76
9	E	534	534	8.59
9	E	534	534	8.59
10	E	406	406	0.42
10	E	406	406	0.42
11	E	246	246	0.00
11	E	246	246	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.827
F3	0.000	1.606	-0.280
F4	1.606	0.000	-0.280
F5	0.000	-1.606	-0.280
F6	-1.606	0.000	-0.280
F7	0.000	0.000	-1.863

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0904	1.6060	1.6060	1.6060	1.6060	1.5997
Cl2	2.0904		2.6489	2.6489	2.6489	2.6489	3.6901
F3	1.6060	2.6489		2.2711	3.2119	2.2711	2.2554
F4	1.6060	2.6489	2.2711		2.2711	3.2119	2.2554
F5	1.6060	2.6489	3.2119	2.2711		2.2711	2.2554
F6	1.6060	2.6489	2.2711	3.2119	2.2711		2.2554
F7	1.5997	3.6901	2.2554	2.2554	2.2554	2.2554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.577	Cl2	S1	F4	90.577
Cl2	S1	F5	90.577	Cl2	S1	F6	90.577
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.846	F3	S1	F6	89.994
F3	S1	F7	89.423	F4	S1	F5	89.994
F4	S1	F6	178.846	F4	S1	F7	89.423
F5	S1	F6	89.994	F5	S1	F7	89.423
F6	S1	F7	89.423

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

using model chemistry: PBEPBEultrafine/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	0.554
2	Cl	-0.063
3	F	-0.094
4	F	-0.094
5	F	-0.094
6	F	-0.094
7	F	-0.116

	x	y	z	Total
	0.000	0.000	0.394	0.394
CHELPG
AIM
ESP

<r²>	216.039
(<r²>)^1/2	14.698

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

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

States and conformations

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