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	hartrees
Energy at 0K	-390.953657
Energy at 298.15K
HF Energy	-390.953657
Nuclear repulsion energy	61.976982

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	2182	2159	32.08	239.52	0.04	0.08
2	A₁	990	980	232.92	19.09	0.67	0.81
3	A₁	830	821	40.71	7.28	0.51	0.68
4	E	2190	2168	146.86	75.92	0.75	0.86
4	E	2190	2168	146.89	75.92	0.75	0.86
5	E	914	905	89.77	28.54	0.75	0.86
5	E	914	905	89.78	28.55	0.75	0.86
6	E	705	697	56.10	17.91	0.75	0.86
6	E	705	697	56.10	17.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.509
F2	0.000	0.000	-1.123
H3	0.000	1.414	0.995
H4	-1.224	-0.707	0.995
H5	1.224	-0.707	0.995

	Si1	F2	H3	H4	H5
Si1		1.6323	1.4947	1.4947	1.4947
F2	1.6323		2.5464	2.5464	2.5464
H3	1.4947	2.5464		2.4484	2.4484
H4	1.4947	2.5464	2.4484		2.4484
H5	1.4947	2.5464	2.4484	2.4484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.966	F2	Si1	H4	108.966
F2	Si1	H5	108.966	H3	Si1	H4	109.972
H3	Si1	H5	109.972	H4	Si1	H5	109.972

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBEultrafine/6-311G*

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	0.612
2	F	-0.393
3	H	-0.073
4	H	-0.073
5	H	-0.073

	x	y	z	Total
	0.000	0.000	1.442	1.442
CHELPG
AIM
ESP

	x	y	z
x	3.694	0.000	0.000
y	0.000	3.694	-0.000
z	0.000	-0.000	3.038

<r²>	36.596
(<r²>)^1/2	6.049

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)