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	hartrees
Energy at 0K	-391.213066
Energy at 298.15K
HF Energy	-391.213066
Nuclear repulsion energy	61.496870

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	2229	2164	30.34	315.82	0.03	0.05
2	A₁	964	936	167.50	1.27	0.75	0.86
3	A₁	818	794	80.97	6.44	0.28	0.44
4	E	2243	2177	120.09	54.62	0.75	0.86
4	E	2243	2177	120.10	54.63	0.75	0.86
5	E	949	921	77.65	6.64	0.75	0.86
5	E	949	921	77.66	6.64	0.75	0.86
6	E	706	685	48.36	5.77	0.75	0.86
6	E	706	685	48.37	5.76	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	1.418	0.972
H4	-1.228	-0.709	0.972
H5	1.228	-0.709	0.972

	Si1	F2	H3	H4	H5
Si1		1.6548	1.4885	1.4885	1.4885
F2	1.6548		2.5392	2.5392	2.5392
H3	1.4885	2.5392		2.4569	2.4569
H4	1.4885	2.5392	2.4569		2.4569
H5	1.4885	2.5392	2.4569	2.4569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.648	F2	Si1	H4	107.648
F2	Si1	H5	107.648	H3	Si1	H4	111.231
H3	Si1	H5	111.231	H4	Si1	H5	111.231

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3LYPultrafine/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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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	-0.137
2	F	-0.597
3	H	0.245
4	H	0.245
5	H	0.245

	x	y	z	Total
	0.000	0.000	1.658	1.658
CHELPG
AIM
ESP

<r²>	37.016
(<r²>)^1/2	6.084

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)