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	hartrees
Energy at 0K	-586.210266
Energy at 298.15K
HF Energy	-586.075531
Nuclear repulsion energy	183.498178

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	2435	2435	116.30	88.89	0.18	0.31
2	A₁	861	861	53.71	7.95	0.00	0.00
3	A₁	403	403	85.68	1.72	0.75	0.86
4	E	1061	1061	198.74	1.15	0.75	0.86
4	E	1061	1061	198.72	1.15	0.75	0.86
5	E	891	891	37.00	16.45	0.75	0.86
5	E	891	891	37.00	16.45	0.75	0.86
6	E	300	300	16.25	1.06	0.75	0.86
6	E	300	300	16.26	1.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.358
H2	0.000	0.000	1.819
F3	0.000	1.502	-0.253
F4	1.300	-0.751	-0.253
F5	-1.300	-0.751	-0.253

	Si1	H2	F3	F4	F5
Si1		1.4610	1.6209	1.6209	1.6209
H2	1.4610		2.5584	2.5584	2.5584
F3	1.6209	2.5584		2.6010	2.6010
F4	1.6209	2.5584	2.6010		2.6010
F5	1.6209	2.5584	2.6010	2.6010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	112.117	H2	Si1	F4	112.117
H2	Si1	F5	112.117	F3	Si1	F4	106.701
F3	Si1	F5	106.701	F4	Si1	F5	106.701

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B2PLYP/3-21G

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	1.442
2	H	-0.211
3	F	-0.410
4	F	-0.410
5	F	-0.410

<r²>	85.705
(<r²>)^1/2	9.258

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)