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	hartrees
Energy at 0K	-589.374585
Energy at 298.15K
HF Energy	-589.374585
Nuclear repulsion energy	183.791348

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	2312	2285	63.70	107.48	0.13	0.23
2	A₁	794	785	78.10	8.94	0.00	0.00
3	A₁	387	383	61.09	1.17	0.66	0.79
4	E	939	929	261.16	0.83	0.75	0.86
4	E	939	929	261.15	0.83	0.75	0.86
5	E	790	781	14.07	8.80	0.75	0.86
5	E	790	781	14.07	8.80	0.75	0.86
6	E	275	272	12.36	0.87	0.75	0.86
6	E	275	272	12.36	0.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.332
H2	0.000	0.000	1.806
F3	0.000	1.509	-0.239
F4	1.307	-0.755	-0.239
F5	-1.307	-0.755	-0.239

	Si1	H2	F3	F4	F5
Si1		1.4746	1.6136	1.6136	1.6136
H2	1.4746		2.5417	2.5417	2.5417
F3	1.6136	2.5417		2.6145	2.6145
F4	1.6136	2.5417	2.6145		2.6145
F5	1.6136	2.5417	2.6145	2.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.698	H2	Si1	F4	110.698
H2	Si1	F5	110.698	F3	Si1	F4	108.217
F3	Si1	F5	108.217	F4	Si1	F5	108.217

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: PBEPBE/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	0.853
2	H	-0.058
3	F	-0.265
4	F	-0.265
5	F	-0.265

	x	y	z	Total
	0.000	0.000	1.574	1.574
CHELPG
AIM
ESP

<r²>	85.832
(<r²>)^1/2	9.265

All results from a given calculation for SiHF3 (trifluorosilane)

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

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)