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	hartrees
Energy at 0K	-1356.776992
Energy at 298.15K	-1356.781017
HF Energy	-1356.380469
Nuclear repulsion energy	629.743880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	871	871	397.04
2	A₁	696	696	2.73
3	A₁	574	574	98.73
4	A₁	385	385	3.96
5	B₁	466	466	0.00
6	B₂	647	647	0.00
7	B₂	316	316	0.00
8	E	952	952	328.96
8	E	952	952	328.96
9	E	536	536	17.18
9	E	536	536	17.18
10	E	410	410	1.83
10	E	410	410	1.83
11	E	248	248	0.08
11	E	248	248	0.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.822
F3	0.000	1.605	-0.281
F4	1.605	0.000	-0.281
F5	0.000	-1.605	-0.281
F6	-1.605	0.000	-0.281
F7	0.000	0.000	-1.857

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0804	1.6049	1.6049	1.6049	1.6049	1.5979
Cl2	2.0804		2.6449	2.6449	2.6449	2.6449	3.6784
F3	1.6049	2.6449		2.2694	3.2095	2.2694	2.2491
F4	1.6049	2.6449	2.2694		2.2694	3.2095	2.2491
F5	1.6049	2.6449	3.2095	2.2694		2.2694	2.2491
F6	1.6049	2.6449	2.2694	3.2095	2.2694		2.2491
F7	1.5979	3.6784	2.2491	2.2491	2.2491	2.2491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.788	Cl2	S1	F4	90.788
Cl2	S1	F5	90.788	Cl2	S1	F6	90.788
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.424	F3	S1	F6	89.989
F3	S1	F7	89.212	F4	S1	F5	89.989
F4	S1	F6	178.424	F4	S1	F7	89.212
F5	S1	F6	89.989	F5	S1	F7	89.212
F6	S1	F7	89.212

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

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