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	hartrees
Energy at 0K	-586.313583
Energy at 298.15K
HF Energy	-586.313583
Nuclear repulsion energy	185.899822

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	2351	2241	99.01	70.44	0.19	0.32
2	A₁	872	832	54.41	5.96	0.00	0.00
3	A₁	408	389	55.18	1.22	0.74	0.85
4	E	1073	1024	181.45	0.53	0.75	0.86
4	E	1073	1023	181.44	0.53	0.75	0.86
5	E	857	817	22.93	10.90	0.75	0.86
5	E	857	817	22.93	10.90	0.75	0.86
6	E	300	286	10.06	0.76	0.75	0.86
6	E	300	286	10.06	0.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.334
H2	0.000	0.000	1.812
F3	0.000	1.488	-0.241
F4	1.289	-0.744	-0.241
F5	-1.289	-0.744	-0.241

	Si1	H2	F3	F4	F5
Si1		1.4772	1.5955	1.5955	1.5955
H2	1.4772		2.5351	2.5351	2.5351
F3	1.5955	2.5351		2.5779	2.5779
F4	1.5955	2.5351	2.5779		2.5779
F5	1.5955	2.5351	2.5779	2.5779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.123	H2	Si1	F4	111.123
H2	Si1	F5	111.123	F3	Si1	F4	107.770
F3	Si1	F5	107.770	F4	Si1	F5	107.770

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/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	0.864
2	H	-0.106
3	F	-0.253
4	F	-0.253
5	F	-0.253

	x	y	z	Total
	0.000	0.000	1.162	1.162
CHELPG
AIM
ESP

<r²>	83.356
(<r²>)^1/2	9.130

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)