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	hartrees
Energy at 0K	-589.376587
Energy at 298.15K
HF Energy	-589.376587
Nuclear repulsion energy	186.572202

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	2274	2251	60.51	73.27	0.15	0.27
2	A₁	821	813	58.64	6.67	0.00	0.00
3	A₁	401	397	49.91	0.73	0.66	0.79
4	E	983	973	185.79	0.45	0.75	0.86
4	E	983	973	185.79	0.45	0.75	0.86
5	E	797	789	18.86	6.17	0.75	0.86
5	E	797	789	18.87	6.17	0.75	0.86
6	E	289	286	8.70	0.46	0.75	0.86
6	E	289	286	8.70	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.323
H2	0.000	0.000	1.799
F3	0.000	1.487	-0.234
F4	1.288	-0.744	-0.234
F5	-1.288	-0.744	-0.234

	Si1	H2	F3	F4	F5
Si1		1.4759	1.5881	1.5881	1.5881
H2	1.4759		2.5188	2.5188	2.5188
F3	1.5881	2.5188		2.5758	2.5758
F4	1.5881	2.5188	2.5758		2.5758
F5	1.5881	2.5188	2.5758	2.5758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.533	H2	Si1	F4	110.533
H2	Si1	F5	110.533	F3	Si1	F4	108.389
F3	Si1	F5	108.389	F4	Si1	F5	108.389

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.339
2	H	0.025
3	F	-0.122
4	F	-0.122
5	F	-0.122

	x	y	z	Total
	0.000	0.000	1.059	1.059
CHELPG
AIM
ESP

<r²>	83.025
(<r²>)^1/2	9.112

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)