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	hartrees
Energy at 0K	-581.602031
Energy at 298.15K
HF Energy	-581.602031
Nuclear repulsion energy	182.549825

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	2612	2304	48.58	56.69	0.31	0.47
2	A₁	797	703	22.86	5.07	0.00	0.00
3	A₁	361	318	41.56	1.50	0.75	0.86
4	E	1015	896	152.03	1.01	0.75	0.86
4	E	1015	896	152.03	1.01	0.75	0.86
5	E	853	752	22.44	9.79	0.75	0.86
5	E	853	752	22.44	9.79	0.75	0.86
6	E	272	240	7.73	1.25	0.75	0.86
6	E	272	240	7.73	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.345
H2	0.000	0.000	1.798
F3	0.000	1.517	-0.246
F4	1.314	-0.758	-0.246
F5	-1.314	-0.758	-0.246

	Si1	H2	F3	F4	F5
Si1		1.4523	1.6278	1.6278	1.6278
H2	1.4523		2.5447	2.5447	2.5447
F3	1.6278	2.5447		2.6270	2.6270
F4	1.6278	2.5447	2.6270		2.6270
F5	1.6278	2.5447	2.6270	2.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.288	H2	Si1	F4	111.288
H2	Si1	F5	111.288	F3	Si1	F4	107.595
F3	Si1	F5	107.595	F4	Si1	F5	107.595

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBE1PBE/STO-3G

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	0.894
2	H	-0.134
3	F	-0.253
4	F	-0.253
5	F	-0.253

	x	y	z	Total
	0.000	0.000	0.876	0.876
CHELPG
AIM
ESP

<r²>	84.096
(<r²>)^1/2	9.170

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)