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	hartrees
Energy at 0K	-589.847083
Energy at 298.15K
HF Energy	-589.847083
Nuclear repulsion energy	188.091253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	868	829	85.29	4.30	0.00	0.00
2	?_a	850	812	26.93	4.99	0.75	0.86
3	?_a	850	812	26.96	5.00	0.75	0.86
4	A₁	2423	2315	60.45	82.25	0.11	0.20
4	A₁	421	402	74.56	0.60	0.66	0.79
5	E	1012	966	250.35	0.35	0.75	0.86
5	E	1012	966	250.17	0.35	0.75	0.86
6	E	301	288	12.83	0.41	0.75	0.86
6	E	301	288	12.83	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.328
H2	0.000	0.000	1.780
F3	0.000	1.473	-0.236
F4	1.275	-0.736	-0.236
F5	-1.275	-0.736	-0.236

	Si1	H2	F3	F4	F5
Si1		1.4526	1.5768	1.5768	1.5768
H2	1.4526		2.4969	2.4969	2.4969
F3	1.5768	2.4969		2.5507	2.5507
F4	1.5768	2.4969	2.5507		2.5507
F5	1.5768	2.4969	2.5507	2.5507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.948	H2	Si1	F4	110.948
H2	Si1	F5	110.948	F3	Si1	F4	107.955
F3	Si1	F5	107.955	F4	Si1	F5	107.955

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: M06-2X/cc-pVTZ

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	0.783
2	H	-0.016
3	F	-0.256
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	0.000	0.000	1.481	1.481
CHELPG
AIM
ESP

<r²>	82.281
(<r²>)^1/2	9.071

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)