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	hartrees
Energy at 0K	-386.064766
Energy at 298.15K
HF Energy	-386.043479
Nuclear repulsion energy	62.338540

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	2674	2674	16.63	65.65	0.04	0.08
2	A₁	1152	1152	234.66	9.02	0.70	0.83
3	A₁	896	896	2.07	3.73	0.39	0.57
4	E	2724	2724	36.59	36.17	0.75	0.86
4	E	2724	2724	36.59	36.17	0.75	0.86
5	E	1139	1139	79.36	21.65	0.75	0.86
5	E	1139	1139	79.35	21.65	0.75	0.86
6	E	785	785	77.60	6.52	0.75	0.86
6	E	785	785	77.60	6.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.512
F2	0.000	0.000	-1.130
H3	0.000	1.357	1.001
H4	-1.175	-0.678	1.001
H5	1.175	-0.678	1.001

	Si1	F2	H3	H4	H5
Si1		1.6423	1.4424	1.4424	1.4424
F2	1.6423		2.5268	2.5268	2.5268
H3	1.4424	2.5268		2.3501	2.3501
H4	1.4424	2.5268	2.3501		2.3501
H5	1.4424	2.5268	2.3501	2.3501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	109.833	F2	Si1	H4	109.833
F2	Si1	H5	109.833	H3	Si1	H4	109.107
H3	Si1	H5	109.107	H4	Si1	H5	109.107

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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	0.703
2	F	-0.257
3	H	-0.149
4	H	-0.149
5	H	-0.149

	x	y	z	Total
	0.000	0.000	0.655	0.655
CHELPG
AIM
ESP

<r²>	34.938
(<r²>)^1/2	5.911

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)