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	hartrees
Energy at 0K	-588.753647
Energy at 298.15K	-588.754381
HF Energy	-588.753647
Nuclear repulsion energy	169.667984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	741	736	61.39
2	A₁	345	343	42.55
3	E	861	855	171.30
3	E	861	855	171.29
4	E	240	239	8.62
4	E	240	239	8.61

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.393
F2	0.000	1.536	-0.204
F3	1.331	-0.768	-0.204
F4	-1.331	-0.768	-0.204

	Si1	F2	F3	F4
Si1		1.6484	1.6484	1.6484
F2	1.6484		2.6612	2.6612
F3	1.6484	2.6612		2.6612
F4	1.6484	2.6612	2.6612

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Si1	F3	107.651		F2	Si1	F4	107.651
F3	Si1	F4	107.651

All results from a given calculation for SiF₃ (Silicon trifluoride radical)

using model chemistry: PBEPBE/aug-cc-pVDZ

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	Si	1.396
2	F	-0.465
3	F	-0.465
4	F	-0.465

	x	y	z	Total
	0.000	0.000	1.390	1.390
CHELPG
AIM
ESP

	x	y	z
x	4.493	0.000	0.000
y	0.000	4.492	0.001
z	0.000	0.001	3.804

<r²>	84.676
(<r²>)^1/2	9.202

All results from a given calculation for SiF3 (Silicon trifluoride radical)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiF₃ (Silicon trifluoride radical)