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	hartrees
Energy at 0K	-391.046027
Energy at 298.15K
HF Energy	-391.046027
Nuclear repulsion energy	62.980876

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	2243	2243	30.48	316.66	0.03	0.05
2	A₁	979	979	179.68	0.93	0.75	0.86
3	A₁	867	867	68.22	5.27	0.31	0.47
4	E	2252	2252	128.37	51.30	0.75	0.86
4	E	2252	2252	128.41	51.29	0.75	0.86
5	E	953	953	77.60	5.30	0.75	0.86
5	E	953	953	77.62	5.31	0.75	0.86
6	E	720	720	52.29	5.36	0.75	0.86
6	E	720	720	52.29	5.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.501
F2	0.000	0.000	-1.101
H3	0.000	1.407	0.966
H4	-1.218	-0.703	0.966
H5	1.218	-0.703	0.966

	Si1	F2	H3	H4	H5
Si1		1.6024	1.4813	1.4813	1.4813
F2	1.6024		2.5002	2.5002	2.5002
H3	1.4813	2.5002		2.4362	2.4362
H4	1.4813	2.5002	2.4362		2.4362
H5	1.4813	2.5002	2.4362	2.4362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.283	F2	Si1	H4	108.283
F2	Si1	H5	108.283	H3	Si1	H4	110.633
H3	Si1	H5	110.633	H4	Si1	H5	110.633

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

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	1.167
2	F	-0.640
3	H	-0.175
4	H	-0.175
5	H	-0.175

	x	y	z	Total
	0.000	0.000	1.315	1.315
CHELPG
AIM
ESP

<r²>	35.769
(<r²>)^1/2	5.981

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)