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	hartrees
Energy at 0K	-697.768225
Energy at 298.15K	-697.769454
HF Energy	-697.768225
Nuclear repulsion energy	192.402285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	875	875	111.05
2	A'	592	592	9.59
3	A'	377	377	12.93
4	A'	141	141	6.05
5	A"	741	741	516.89
6	A"	483	483	0.92

Atom	x (Å)	y (Å)	z (Å)
S1	-0.314	-0.190	0.000
F2	1.185	0.265	0.000
F3	-0.314	0.037	1.636
F4	-0.314	0.037	-1.636

	S1	F2	F3	F4
S1		1.5668	1.6522	1.6522
F2	1.5668		2.2310	2.2310
F3	1.6522	2.2310		3.2729
F4	1.6522	2.2310	3.2729

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.708		F2	S1	F4	87.708
F3	S1	F4	164.194

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

using model chemistry: B1B95/cc-pCVTZ

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	0.700
2	F	-0.157
3	F	-0.271
4	F	-0.271

	x	y	z	Total
	-0.498	-0.465	0.000	0.682
CHELPG
AIM
ESP

	x	y	z
x	2.981	0.155	0.000
y	0.155	2.365	0.000
z	0.000	0.000	4.546

<r²>	82.781
(<r²>)^1/2	9.098

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

using model chemistry: B1B95/cc-pCVTZ

States and conformations

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