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	hartrees
Energy at 0K	-391.014415
Energy at 298.15K
HF Energy	-391.014415
Nuclear repulsion energy	62.725054

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	2246	2160	30.36	315.55	0.03	0.05
2	A₁	973	936	176.06	0.95	0.75	0.86
3	A₁	866	832	68.96	5.41	0.30	0.47
4	E	2256	2170	125.26	51.26	0.75	0.86
4	E	2256	2170	125.29	51.28	0.75	0.86
5	E	951	914	75.68	5.42	0.75	0.86
5	E	951	914	75.69	5.44	0.75	0.86
6	E	719	691	51.99	5.33	0.75	0.86
6	E	719	691	51.99	5.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.504
F2	0.000	0.000	-1.106
H3	0.000	1.410	0.967
H4	-1.221	-0.705	0.967
H5	1.221	-0.705	0.967

	Si1	F2	H3	H4	H5
Si1		1.6106	1.4840	1.4840	1.4840
F2	1.6106		2.5074	2.5074	2.5074
H3	1.4840	2.5074		2.4421	2.4421
H4	1.4840	2.5074	2.4421		2.4421
H5	1.4840	2.5074	2.4421	2.4421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.173	F2	Si1	H4	108.173
F2	Si1	H5	108.173	H3	Si1	H4	110.738
H3	Si1	H5	110.738	H4	Si1	H5	110.738

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	1.024
2	F	-0.613
3	H	-0.137
4	H	-0.137
5	H	-0.137

	x	y	z	Total
	0.000	0.000	1.371	1.371
CHELPG
AIM
ESP

<r²>	35.959
(<r²>)^1/2	5.997

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)