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	hartrees
Energy at 0K	-391.272249
Energy at 298.15K
HF Energy	-391.272249
Nuclear repulsion energy	62.884670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2269	2269	31.43	274.81	0.03	0.06
2	A₁	995	995	186.80	1.41	0.75	0.86
3	A₁	864	864	61.77	5.03	0.32	0.48
4	E	2274	2274	134.09	50.82	0.75	0.86
4	E	2274	2274	134.15	50.79	0.75	0.86
5	E	970	970	81.65	7.15	0.75	0.86
5	E	970	970	81.68	7.11	0.75	0.86
6	E	724	724	52.88	6.35	0.75	0.86
6	E	724	724	52.89	6.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.503
F2	0.000	0.000	-1.105
H3	0.000	1.403	0.965
H4	-1.215	-0.701	0.965
H5	1.215	-0.701	0.965

	Si1	F2	H3	H4	H5
Si1		1.6079	1.4769	1.4769	1.4769
F2	1.6079		2.5005	2.5005	2.5005
H3	1.4769	2.5005		2.4296	2.4296
H4	1.4769	2.5005	2.4296		2.4296
H5	1.4769	2.5005	2.4296	2.4296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.232	F2	Si1	H4	108.232
F2	Si1	H5	108.232	H3	Si1	H4	110.681
H3	Si1	H5	110.681	H4	Si1	H5	110.681

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: TPSSh/cc-pVQZ

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	0.778
2	F	-0.360
3	H	-0.139
4	H	-0.139
5	H	-0.139

	x	y	z	Total
	0.000	0.000	1.259	1.259
CHELPG
AIM
ESP

<r²>	35.752
(<r²>)^1/2	5.979

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: TPSSh/cc-pVQZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)