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	hartrees
Energy at 0K	-588.193360
Energy at 298.15K
HF Energy	-588.193360
Nuclear repulsion energy	191.167829

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	2463	2463	79.25	89.64	0.07	0.14
2	A₁	913	913	99.23	4.07	0.00	0.00
3	A₁	449	449	86.66	0.27	0.56	0.72
4	E	1059	1059	301.36	0.29	0.75	0.86
4	E	1059	1059	301.36	0.29	0.75	0.86
5	E	914	914	24.15	2.90	0.75	0.86
5	E	914	914	24.15	2.90	0.75	0.86
6	E	324	324	14.90	0.19	0.75	0.86
6	E	324	324	14.90	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.320
H2	0.000	0.000	1.768
F3	0.000	1.449	-0.231
F4	1.255	-0.724	-0.231
F5	-1.255	-0.724	-0.231

	Si1	H2	F3	F4	F5
Si1		1.4485	1.5503	1.5503	1.5503
H2	1.4485		2.4694	2.4694	2.4694
F3	1.5503	2.4694		2.5097	2.5097
F4	1.5503	2.4694	2.5097		2.5097
F5	1.5503	2.4694	2.5097	2.5097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.825	H2	Si1	F4	110.825
H2	Si1	F5	110.825	F3	Si1	F4	108.084
F3	Si1	F5	108.084	F4	Si1	F5	108.085

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: HF/aug-cc-pV(T+d)Z

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	2.142
2	H	-0.112
3	F	-0.677
4	F	-0.677
5	F	-0.677

	x	y	z	Total
	0.000	0.000	1.421	1.421
CHELPG
AIM
ESP

<r²>	80.246
(<r²>)^1/2	8.958

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: HF/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)