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	hartrees
Energy at 0K	-391.025059
Energy at 298.15K	-391.020885
HF Energy	-391.197642
Nuclear repulsion energy	63.058208

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	2241	2163	32.08	180.97	0.04	0.08
2	A₁	1012	976	204.66	4.08	0.62	0.77
3	A₁	887	856	32.47	5.23	0.33	0.50
4	E	2245	2167	143.82	48.16	0.75	0.86
4	E	2245	2167	143.83	48.16	0.75	0.86
5	E	963	929	83.88	12.07	0.75	0.86
5	E	963	929	83.88	12.07	0.75	0.86
6	E	730	704	53.01	7.55	0.75	0.86
6	E	730	704	53.00	7.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.499
F2	0.000	0.000	-1.100
H3	0.000	1.403	0.974
H4	-1.215	-0.701	0.974
H5	1.215	-0.701	0.974

	Si1	F2	H3	H4	H5
Si1		1.5991	1.4812	1.4812	1.4812
F2	1.5991		2.5042	2.5042	2.5042
H3	1.4812	2.5042		2.4299	2.4299
H4	1.4812	2.5042	2.4299		2.4299
H5	1.4812	2.5042	2.4299	2.4299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.727	F2	Si1	H4	108.727
F2	Si1	H5	108.727	H3	Si1	H4	110.206
H3	Si1	H5	110.206	H4	Si1	H5	110.206

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: G4

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	0.214
2	F	-0.216
3	H	0.001
4	H	0.001
5	H	0.001

	x	y	z	Total
	0.000	0.000	1.112	1.112
CHELPG
AIM
ESP

<r²>	35.479
(<r²>)^1/2	5.956

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: G4

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)