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	hartrees
Energy at 0K	-29.909651
Energy at 298.15K
HF Energy	-29.909651
Nuclear repulsion energy	18.379440

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	2258	2258	35.77	242.23	0.05	0.09
2	A₁	986	986	215.28	13.60	0.69	0.81
3	A₁	844	844	72.22	4.98	0.43	0.60
4	E	2273	2273	180.18	76.25	0.75	0.86
4	E	2273	2273	180.34	76.30	0.75	0.86
5	E	950	950	99.06	20.09	0.75	0.86
5	E	950	950	99.20	19.92	0.75	0.86
6	E	721	721	55.51	14.71	0.75	0.86
6	E	721	721	55.47	14.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.509
F2	0.000	0.000	-1.118
H3	0.000	1.422	0.978
H4	-1.232	-0.711	0.978
H5	1.232	-0.711	0.978

	Si1	F2	H3	H4	H5
Si1		1.6270	1.4975	1.4975	1.4975
F2	1.6270		2.5328	2.5328	2.5328
H3	1.4975	2.5328		2.4634	2.4634
H4	1.4975	2.5328	2.4634		2.4634
H5	1.4975	2.5328	2.4634	2.4634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.242	F2	Si1	H4	108.242
F2	Si1	H5	108.242	H3	Si1	H4	110.672
H3	Si1	H5	110.672	H4	Si1	H5	110.672

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: wB97X-D/CEP-121G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Si	0.525
2	F	-0.375
3	H	-0.050
4	H	-0.050
5	H	-0.050

	x	y	z	Total
	0.000	0.000	1.565	1.565
CHELPG
AIM
ESP

<r²>	30.485
(<r²>)^1/2	5.521

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)