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	hartrees
Energy at 0K	-589.801445
Energy at 298.15K
HF Energy	-589.801445
Nuclear repulsion energy	187.684763

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	2364	2263	57.47	95.46	0.10	0.19
2	A₁	832	796	77.77	6.88	0.00	0.01
3	A₁	413	395	64.40	0.58	0.57	0.73
4	E	976	935	248.95	0.64	0.75	0.86
4	E	976	935	248.97	0.64	0.75	0.86
5	E	824	789	16.90	4.63	0.75	0.86
5	E	824	789	16.90	4.63	0.75	0.86
6	E	297	284	11.28	0.44	0.75	0.86
6	E	297	284	11.29	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.322
H2	0.000	0.000	1.780
F3	0.000	1.479	-0.233
F4	1.280	-0.739	-0.233
F5	-1.280	-0.739	-0.233

	Si1	H2	F3	F4	F5
Si1		1.4580	1.5791	1.5791	1.5791
H2	1.4580		2.4973	2.4973	2.4973
F3	1.5791	2.4973		2.5610	2.5610
F4	1.5791	2.4973	2.5610		2.5610
F5	1.5791	2.4973	2.5610	2.5610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.558	H2	Si1	F4	110.558
H2	Si1	F5	110.558	F3	Si1	F4	108.363
F3	Si1	F5	108.363	F4	Si1	F5	108.363

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B3PW91/6-311+G(3df,2p)

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	1.264
2	H	-0.064
3	F	-0.400
4	F	-0.400
5	F	-0.400

	x	y	z	Total
	0.000	0.000	1.351	1.351
CHELPG
AIM
ESP

<r²>	82.692
(<r²>)^1/2	9.094

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)