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	hartrees
Energy at 0K	-391.043458
Energy at 298.15K
HF Energy	-390.925632
Nuclear repulsion energy	62.314689

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	2283	2179	31.98	246.33	0.04	0.08
2	A₁	998	953	234.97	13.29	0.69	0.82
3	A₁	846	807	80.28	5.39	0.42	0.60
4	E	2292	2187	146.74	65.19	0.75	0.86
4	E	2292	2187	146.76	65.19	0.75	0.86
5	E	975	931	103.53	19.81	0.75	0.86
5	E	975	931	103.53	19.81	0.75	0.86
6	E	722	689	60.02	16.58	0.75	0.86
6	E	722	689	60.02	16.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.511
F2	0.000	0.000	-1.118
H3	0.000	1.404	0.970
H4	-1.216	-0.702	0.970
H5	1.216	-0.702	0.970

	Si1	F2	H3	H4	H5
Si1		1.6288	1.4772	1.4772	1.4772
F2	1.6288		2.5158	2.5158	2.5158
H3	1.4772	2.5158		2.4321	2.4321
H4	1.4772	2.5158	2.4321		2.4321
H5	1.4772	2.5158	2.4321	2.4321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.092	F2	Si1	H4	108.092
F2	Si1	H5	108.092	H3	Si1	H4	110.814
H3	Si1	H5	110.814	H4	Si1	H5	110.814

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULL/TZVP

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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All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)