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	hartrees
Energy at 0K	-391.139828
Energy at 298.15K
HF Energy	-391.139828
Nuclear repulsion energy	61.121600

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	2178	2178	33.44	327.19	0.03	0.05
2	A₁	945	945	161.96	1.12	0.75	0.86
3	A₁	798	798	75.59	7.14	0.28	0.44
4	E	2194	2194	128.87	58.15	0.75	0.86
4	E	2194	2194	128.93	58.14	0.75	0.86
5	E	928	928	72.14	6.76	0.75	0.86
5	E	928	928	72.15	6.78	0.75	0.86
6	E	692	692	44.14	6.01	0.75	0.86
6	E	692	692	44.14	6.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.524
F2	0.000	0.000	-1.142
H3	0.000	1.425	0.980
H4	-1.234	-0.712	0.980
H5	1.234	-0.712	0.980

	Si1	F2	H3	H4	H5
Si1		1.6657	1.4959	1.4959	1.4959
F2	1.6657		2.5553	2.5553	2.5553
H3	1.4959	2.5553		2.4678	2.4678
H4	1.4959	2.5553	2.4678		2.4678
H5	1.4959	2.5553	2.4678	2.4678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.730	F2	Si1	H4	107.730
F2	Si1	H5	107.730	H3	Si1	H4	111.155
H3	Si1	H5	111.155	H4	Si1	H5	111.155

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B97D3/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	-0.063
2	F	-0.565
3	H	0.209
4	H	0.209
5	H	0.209

	x	y	z	Total
	0.000	0.000	1.587	1.587
CHELPG
AIM
ESP

<r²>	37.271
(<r²>)^1/2	6.105

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)