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	hartrees
Energy at 0K	-390.998118
Energy at 298.15K
HF Energy	-390.890208
Nuclear repulsion energy	61.579501

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	2270	2184	31.15	314.20	0.03	0.05
2	A₁	981	944	177.98	1.33	0.74	0.85
3	A₁	823	792	82.53	6.60	0.27	0.42
4	E	2282	2196	122.44	52.00	0.75	0.86
4	E	2282	2196	122.43	52.02	0.75	0.86
5	E	965	929	83.44	6.37	0.75	0.86
5	E	965	929	83.44	6.36	0.75	0.86
6	E	717	690	51.02	5.38	0.75	0.86
6	E	717	690	51.01	5.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.521
F2	0.000	0.000	-1.133
H3	0.000	1.414	0.971
H4	-1.224	-0.707	0.971
H5	1.224	-0.707	0.971

	Si1	F2	H3	H4	H5
Si1		1.6540	1.4835	1.4835	1.4835
F2	1.6540		2.5348	2.5348	2.5348
H3	1.4835	2.5348		2.4483	2.4483
H4	1.4835	2.5348	2.4483		2.4483
H5	1.4835	2.5348	2.4483	2.4483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.662	F2	Si1	H4	107.662
F2	Si1	H5	107.662	H3	Si1	H4	111.218
H3	Si1	H5	111.218	H4	Si1	H5	111.218

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/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	0.218
2	F	-0.635
3	H	0.139
4	H	0.139
5	H	0.139

	x	y	z	Total
	0.000	0.000	1.666	1.666
CHELPG
AIM
ESP

<r²>	36.991
(<r²>)^1/2	6.082

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)