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	hartrees
Energy at 0K	-391.266021
Energy at 298.15K
HF Energy	-391.266021
Nuclear repulsion energy	62.596456

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	2249	2176	32.10	314.66	0.03	0.05
2	A₁	984	952	178.73	1.17	0.74	0.85
3	A₁	851	823	78.10	5.42	0.29	0.45
4	E	2258	2184	133.92	52.42	0.75	0.86
4	E	2258	2184	133.92	52.44	0.75	0.86
5	E	962	931	81.94	5.51	0.75	0.86
5	E	962	931	81.94	5.53	0.75	0.86
6	E	723	700	52.35	5.47	0.75	0.86
6	E	723	700	52.35	5.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.507
F2	0.000	0.000	-1.111
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		1.6175	1.4791	1.4791	1.4791
F2	1.6175		2.5082	2.5082	2.5082
H3	1.4791	2.5082		2.4349	2.4349
H4	1.4791	2.5082	2.4349		2.4349
H5	1.4791	2.5082	2.4349	2.4349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.106	F2	Si1	H4	108.106
F2	Si1	H5	108.106	H3	Si1	H4	110.801
H3	Si1	H5	110.801	H4	Si1	H5	110.801

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3LYP/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	1.208
2	F	-0.638
3	H	-0.190
4	H	-0.190
5	H	-0.190

	x	y	z	Total
	0.000	0.000	1.419	1.419
CHELPG
AIM
ESP

<r²>	36.146
(<r²>)^1/2	6.012

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)