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	hartrees
Energy at 0K	-391.118501
Energy at 298.15K
HF Energy	-390.945958
Nuclear repulsion energy	63.114954

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	2288	2288	31.18	256.09	0.03	0.07
2	A₁	1010	1010	206.31	3.63	0.74	0.85
3	A₁	878	878	67.02	4.73	0.36	0.53
4	E	2293	2293	142.19	53.33	0.75	0.86
4	E	2293	2293	142.21	53.33	0.75	0.86
5	E	983	983	92.32	10.20	0.75	0.86
5	E	983	983	92.32	10.20	0.75	0.86
6	E	735	735	57.76	8.08	0.75	0.86
6	E	735	735	57.76	8.08	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	1.397	0.964
H4	-1.209	-0.698	0.964
H5	1.209	-0.698	0.964

	Si1	F2	H3	H4	H5
Si1		1.6019	1.4714	1.4714	1.4714
F2	1.6019		2.4931	2.4931	2.4931
H3	1.4714	2.4931		2.4189	2.4189
H4	1.4714	2.4931	2.4189		2.4189
H5	1.4714	2.4931	2.4189	2.4189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.354	F2	Si1	H4	108.354
F2	Si1	H5	108.354	H3	Si1	H4	110.565
H3	Si1	H5	110.565	H4	Si1	H5	110.565

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)