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	hartrees
Energy at 0K	-391.210386
Energy at 298.15K
HF Energy	-391.210386
Nuclear repulsion energy	61.502283

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	2255	2181	31.09	306.74	0.03	0.05
2	A₁	968	936	170.23	1.00	0.75	0.86
3	A₁	820	793	75.57	6.62	0.27	0.42
4	E	2268	2194	121.38	51.80	0.75	0.86
4	E	2268	2194	121.41	51.74	0.75	0.86
5	E	955	923	75.77	6.19	0.75	0.86
5	E	955	923	75.78	6.20	0.75	0.86
6	E	706	682	47.13	5.33	0.75	0.86
6	E	706	682	47.13	5.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.521
F2	0.000	0.000	-1.134
H3	0.000	1.417	0.972
H4	-1.227	-0.709	0.972
H5	1.227	-0.709	0.972

	Si1	F2	H3	H4	H5
Si1		1.6553	1.4870	1.4870	1.4870
F2	1.6553		2.5384	2.5384	2.5384
H3	1.4870	2.5384		2.4544	2.4544
H4	1.4870	2.5384	2.4544		2.4544
H5	1.4870	2.5384	2.4544	2.4544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.645	F2	Si1	H4	107.645
F2	Si1	H5	107.645	H3	Si1	H4	111.234
H3	Si1	H5	111.234	H4	Si1	H5	111.234

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: TPSSh/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	0.383
2	F	-0.560
3	H	0.059
4	H	0.059
5	H	0.059

	x	y	z	Total
	0.000	0.000	1.590	1.590
CHELPG
AIM
ESP

<r²>	36.878
(<r²>)^1/2	6.073

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)