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	hartrees
Energy at 0K	-589.470912
Energy at 298.15K
HF Energy	-589.267465
Nuclear repulsion energy	185.486226

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	2431	2315	71.14	97.80	0.12	0.21
2	A₁	829	790	87.33	7.10	0.00	0.00
3	A₁	408	389	73.56	0.91	0.66	0.80
4	E	977	931	296.47	0.56	0.75	0.86
4	E	977	931	296.45	0.56	0.75	0.86
5	E	843	803	16.58	8.07	0.75	0.86
5	E	843	803	16.59	8.07	0.75	0.86
6	E	291	277	14.56	0.69	0.75	0.86
6	E	291	277	14.56	0.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.330
H2	0.000	0.000	1.784
F3	0.000	1.495	-0.237
F4	1.295	-0.748	-0.237
F5	-1.295	-0.748	-0.237

	Si1	H2	F3	F4	F5
Si1		1.4541	1.5994	1.5994	1.5994
H2	1.4541		2.5143	2.5143	2.5143
F3	1.5994	2.5143		2.5903	2.5903
F4	1.5994	2.5143	2.5903		2.5903
F5	1.5994	2.5143	2.5903	2.5903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.765	H2	Si1	F4	110.765
H2	Si1	F5	110.765	F3	Si1	F4	108.147
F3	Si1	F5	108.147	F4	Si1	F5	108.147

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: B2PLYP/6-31+G**

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	1.103
2	H	-0.101
3	F	-0.334
4	F	-0.334
5	F	-0.334

<r²>	84.635
(<r²>)^1/2	9.200

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)