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	hartrees
Energy at 0K	-1354.419612
Energy at 298.15K	-1354.422331
HF Energy	-1353.619953
Nuclear repulsion energy	577.230895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	792	760	221.90
2	A₁	597	573	0.04
3	A₁	447	429	108.66
4	A₁	286	274	0.00
5	B₁	337	323	0.00
6	B₂	587	563	0.00
7	B₂	228	219	0.00
8	E	868	832	195.03
8	E	868	832	195.03
9	E	392	376	25.09
9	E	392	376	25.09
10	E	289	277	3.89
10	E	289	277	3.89
11	E	176	169	0.06
11	E	176	169	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.296
Cl2	0.000	0.000	2.026
F3	0.000	1.739	-0.320
F4	1.739	0.000	-0.320
F5	0.000	-1.739	-0.320
F6	-1.739	0.000	-0.320
F7	0.000	0.000	-2.020

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3219	1.7391	1.7391	1.7391	1.7391	1.7242
Cl2	2.3219		2.9208	2.9208	2.9208	2.9208	4.0461
F3	1.7391	2.9208		2.4592	3.4778	2.4592	2.4313
F4	1.7391	2.9208	2.4592		2.4592	3.4778	2.4313
F5	1.7391	2.9208	3.4778	2.4592		2.4592	2.4313
F6	1.7391	2.9208	2.4592	3.4778	2.4592		2.4313
F7	1.7242	4.0461	2.4313	2.4313	2.4313	2.4313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.819	Cl2	S1	F4	90.819
Cl2	S1	F5	90.819	Cl2	S1	F6	90.819
Cl2	S1	F7	180.000	F3	S1	F4	89.988
F3	S1	F5	178.362	F3	S1	F6	89.988
F3	S1	F7	89.181	F4	S1	F5	89.988
F4	S1	F6	178.362	F4	S1	F7	89.181
F5	S1	F6	89.988	F5	S1	F7	89.181
F6	S1	F7	89.181

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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