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	hartrees
Energy at 0K	-391.266416
Energy at 298.15K
HF Energy	-391.266416
Nuclear repulsion energy	62.611403

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	2248	2248	32.23	315.54	0.03	0.05
2	A₁	984	984	178.76	1.25	0.75	0.86
3	A₁	851	851	78.18	5.49	0.28	0.44
4	E	2258	2258	133.56	52.16	0.75	0.86
4	E	2258	2258	133.56	52.13	0.75	0.86
5	E	961	961	82.78	5.52	0.75	0.86
5	E	961	961	82.78	5.55	0.75	0.86
6	E	722	722	51.70	5.53	0.75	0.86
6	E	722	722	51.71	5.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.507
F2	0.000	0.000	-1.110
H3	0.000	1.406	0.967
H4	-1.217	-0.703	0.967
H5	1.217	-0.703	0.967

	Si1	F2	H3	H4	H5
Si1		1.6170	1.4790	1.4790	1.4790
F2	1.6170		2.5080	2.5080	2.5080
H3	1.4790	2.5080		2.4345	2.4345
H4	1.4790	2.5080	2.4345		2.4345
H5	1.4790	2.5080	2.4345	2.4345

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: B3LYPultrafine/daug-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	1.782
2	F	-0.918
3	H	-0.288
4	H	-0.288
5	H	-0.288

	x	y	z	Total
	0.000	0.000	1.410	1.410
CHELPG
AIM
ESP

<r²>	36.132
(<r²>)^1/2	6.011

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)