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	hartrees
Energy at 0K	-29.836930
Energy at 298.15K
HF Energy	-29.836930
Nuclear repulsion energy	17.743119

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	2216	2216	39.15	233.70	0.05	0.09
2	A₁	947	947	190.24	17.80	0.70	0.83
3	A₁	745	745	60.27	7.87	0.52	0.69
4	E	2252	2252	189.60	101.15	0.75	0.86
4	E	2252	2252	189.28	100.92	0.75	0.86
5	E	923	923	84.10	32.29	0.75	0.86
5	E	923	923	84.17	32.11	0.75	0.86
6	E	677	677	51.24	15.88	0.75	0.86
6	E	677	677	51.24	15.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.544
F2	0.000	0.000	-1.178
H3	0.000	1.433	0.995
H4	-1.241	-0.717	0.995
H5	1.241	-0.717	0.995

	Si1	F2	H3	H4	H5
Si1		1.7214	1.5026	1.5026	1.5026
F2	1.7214		2.6025	2.6025	2.6025
H3	1.5026	2.6025		2.4827	2.4827
H4	1.5026	2.6025	2.4827		2.4827
H5	1.5026	2.6025	2.4827	2.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.458	F2	Si1	H4	107.458
F2	Si1	H5	107.458	H3	Si1	H4	111.407
H3	Si1	H5	111.407	H4	Si1	H5	111.407

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: wB97X-D/CEP-31G

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	0.708
2	F	-0.508
3	H	-0.067
4	H	-0.067
5	H	-0.067

	x	y	z	Total
	0.000	0.000	2.958	2.958
CHELPG
AIM
ESP

<r²>	32.084
(<r²>)^1/2	5.664

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)