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	hartrees
Energy at 0K	-390.915365
Energy at 298.15K
HF Energy	-390.915365
Nuclear repulsion energy	61.042666

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	2156	2144	27.28	242.76	0.04	0.08
2	A₁	962	956	179.94	9.75	0.64	0.78
3	A₁	823	818	25.81	6.79	0.45	0.62
4	E	2174	2161	127.21	66.70	0.75	0.86
4	E	2174	2161	127.24	66.70	0.75	0.86
5	E	898	893	71.49	20.67	0.75	0.86
5	E	898	893	71.49	20.68	0.75	0.86
6	E	690	686	45.47	14.50	0.75	0.86
6	E	690	686	45.47	14.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.521
F2	0.000	0.000	-1.142
H3	0.000	1.430	0.994
H4	-1.238	-0.715	0.994
H5	1.238	-0.715	0.994

	Si1	F2	H3	H4	H5
Si1		1.6636	1.5056	1.5055	1.5055
F2	1.6636		2.5701	2.5701	2.5701
H3	1.5056	2.5701		2.4761	2.4761
H4	1.5055	2.5701	2.4761		2.4761
H5	1.5055	2.5701	2.4761	2.4761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.279	F2	Si1	H4	108.279
F2	Si1	H5	108.279	H3	Si1	H4	110.637
H3	Si1	H5	110.637	H4	Si1	H5	110.637

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBEPBEultrafine/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	0.443
2	F	-0.295
3	H	-0.049
4	H	-0.049
5	H	-0.049

	x	y	z	Total
	0.000	0.000	1.418	1.418
CHELPG
AIM
ESP

	x	y	z
x	3.870	0.000	0.000
y	0.000	3.870	-0.000
z	0.000	-0.000	3.301

<r²>	37.136
(<r²>)^1/2	6.094

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)