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	hartrees
Energy at 0K	-586.731933
Energy at 298.15K
HF Energy	-586.731933
Nuclear repulsion energy	188.006648

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	2443	2337	100.29	64.44	0.18	0.31
2	A₁	913	874	68.55	4.43	0.00	0.00
3	A₁	423	405	71.17	1.06	0.75	0.86
4	E	1116	1068	220.07	0.46	0.75	0.86
4	E	1116	1068	219.92	0.45	0.75	0.86
5	E	888	849	32.90	10.35	0.75	0.86
5	E	888	849	32.93	10.33	0.75	0.86
6	E	310	296	12.88	0.65	0.75	0.86
6	E	310	296	12.87	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.333
H2	0.000	0.000	1.792
F3	0.000	1.471	-0.239
F4	1.274	-0.735	-0.239
F5	-1.274	-0.735	-0.239

	Si1	H2	F3	F4	F5
Si1		1.4596	1.5780	1.5780	1.5780
H2	1.4596		2.5078	2.5078	2.5078
F3	1.5780	2.5078		2.5477	2.5477
F4	1.5780	2.5078	2.5477		2.5477
F5	1.5780	2.5078	2.5477	2.5477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	111.232	H2	Si1	F4	111.232
H2	Si1	F5	111.232	F3	Si1	F4	107.654
F3	Si1	F5	107.654	F4	Si1	F5	107.654

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B1B95/3-21G

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	1.017
2	H	-0.124
3	F	-0.298
4	F	-0.298
5	F	-0.298

	x	y	z	Total
	0.000	0.000	1.328	1.328
CHELPG
AIM
ESP

	x	y	z
x	2.124	0.000	0.000
y	0.000	2.127	-0.001
z	0.000	-0.001	2.256

<r²>	81.804
(<r²>)^1/2	9.045

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)