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	hartrees
Energy at 0K	-589.657920
Energy at 298.15K
HF Energy	-589.657920
Nuclear repulsion energy	179.036872

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	2411	2411	67.63	99.52	0.16	0.27
2	A₁	752	752	79.37	8.27	0.00	0.00
3	A₁	363	363	93.34	2.20	0.72	0.84
4	E	903	903	264.69	1.42	0.75	0.86
4	E	903	903	264.64	1.42	0.75	0.86
5	E	797	797	6.85	15.30	0.75	0.86
5	E	797	797	6.85	15.29	0.75	0.86
6	E	255	255	19.26	1.47	0.75	0.86
6	E	255	255	19.26	1.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.361
H2	0.000	0.000	1.820
F3	0.000	1.544	-0.255
F4	1.337	-0.772	-0.255
F5	-1.337	-0.772	-0.255

	Si1	H2	F3	F4	F5
Si1		1.4593	1.6621	1.6621	1.6621
H2	1.4593		2.5861	2.5861	2.5861
F3	1.6621	2.5861		2.6742	2.6742
F4	1.6621	2.5861	2.6742		2.6742
F5	1.6621	2.5861	2.6742	2.6742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.730	H2	Si1	F4	111.730
H2	Si1	F5	111.730	F3	Si1	F4	107.121
F3	Si1	F5	107.121	F4	Si1	F5	107.121

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: wB97X-D/SDD

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	1.595
2	H	-0.101
3	F	-0.498
4	F	-0.498
5	F	-0.498

	x	y	z	Total
	0.000	0.000	2.788	2.788
CHELPG
AIM
ESP

<r²>	90.064
(<r²>)^1/2	9.490

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)