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	hartrees
Energy at 0K	-391.221535
Energy at 298.15K
HF Energy	-391.221535
Nuclear repulsion energy	62.194833

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	2192	2180	32.16	284.17	0.03	0.06
2	A₁	964	958	171.04	1.82	0.74	0.85
3	A₁	811	806	73.59	6.50	0.29	0.45
4	E	2203	2191	132.05	58.53	0.75	0.86
4	E	2203	2191	132.07	58.54	0.75	0.86
5	E	941	935	77.18	8.32	0.75	0.86
5	E	941	935	77.18	8.32	0.75	0.86
6	E	700	696	46.23	7.51	0.75	0.86
6	E	700	696	46.23	7.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.511
F2	0.000	0.000	-1.119
H3	0.000	1.411	0.973
H4	-1.222	-0.705	0.973
H5	1.222	-0.705	0.973

	Si1	F2	H3	H4	H5
Si1		1.6299	1.4844	1.4844	1.4844
F2	1.6299		2.5230	2.5230	2.5230
H3	1.4844	2.5230		2.4434	2.4434
H4	1.4844	2.5230	2.4434		2.4434
H5	1.4844	2.5230	2.4434	2.4434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.129	F2	Si1	H4	108.129
F2	Si1	H5	108.129	H3	Si1	H4	110.779
H3	Si1	H5	110.779	H4	Si1	H5	110.779

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.589
2	F	-0.397
3	H	-0.064
4	H	-0.064
5	H	-0.064

	x	y	z	Total
	0.000	0.000	1.359	1.359
CHELPG
AIM
ESP

<r²>	36.520
(<r²>)^1/2	6.043

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)