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	hartrees
Energy at 0K	-697.693259
Energy at 298.15K	-697.694407
HF Energy	-697.693259
Nuclear repulsion energy	188.083358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	840	802	115.92
2	A'	570	544	14.00
3	A'	344	329	16.71
4	A'	166	159	10.32
5	A"	689	657	520.73
6	A"	445	425	0.42

Atom	x (Å)	y (Å)	z (Å)
S1	-0.329	-0.182	0.000
F2	1.242	0.099	0.000
F3	-0.329	0.112	1.667
F4	-0.329	0.112	-1.667

	S1	F2	F3	F4
S1		1.5960	1.6924	1.6924
F2	1.5960		2.2906	2.2906
F3	1.6924	2.2906		3.3333
F4	1.6924	2.2906	3.3333

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.253		F2	S1	F4	88.253
F3	S1	F4	160.003

All results from a given calculation for SF₃ (Sulfur trifluoride)

using model chemistry: mPW1PW91/TZVP

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	0.856
2	F	-0.207
3	F	-0.325
4	F	-0.325

	x	y	z	Total
	-0.781	-0.672	0.000	1.030
CHELPG
AIM
ESP

	x	y	z
x	2.916	0.092	0.000
y	0.092	2.051	0.000
z	0.000	0.000	4.906

<r²>	86.326
(<r²>)^1/2	9.291

All results from a given calculation for SF3 (Sulfur trifluoride)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for SF₃ (Sulfur trifluoride)