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	hartrees
Energy at 0K	-589.538830
Energy at 298.15K
HF Energy	-589.538830
Nuclear repulsion energy	186.193518

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	2290	2290	57.44	93.80	0.12	0.22
2	A₁	811	811	72.65	6.57	0.00	0.00
3	A₁	398	398	57.74	0.92	0.62	0.77
4	E	956	956	229.13	0.56	0.75	0.86
4	E	956	956	229.13	0.56	0.75	0.86
5	E	797	797	15.99	6.29	0.75	0.86
5	E	797	797	15.99	6.29	0.75	0.86
6	E	286	286	10.16	0.60	0.75	0.86
6	E	286	286	10.16	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.324
H2	0.000	0.000	1.795
F3	0.000	1.490	-0.235
F4	1.291	-0.745	-0.235
F5	-1.291	-0.745	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4707	1.5917	1.5917	1.5917
H2	1.4707		2.5180	2.5180	2.5180
F3	1.5917	2.5180		2.5814	2.5814
F4	1.5917	2.5180	2.5814		2.5814
F5	1.5917	2.5180	2.5814	2.5814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.557	H2	Si1	F4	110.557
H2	Si1	F5	110.557	F3	Si1	F4	108.364
F3	Si1	F5	108.364	F4	Si1	F5	108.364

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBEultrafine/Def2TZVPP

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	0.834
2	H	-0.067
3	F	-0.256
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	0.000	0.000	1.274	1.274
CHELPG
AIM
ESP

<r²>	83.793
(<r²>)^1/2	9.154

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)