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	hartrees
Energy at 0K	-589.855517
Energy at 298.15K
HF Energy	-589.855517
Nuclear repulsion energy	188.154826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	864	864	84.48	6.48	0.00	0.00
2	?_a	853	853	25.14	3.46	0.75	0.86
3	?_a	853	853	25.58	3.56	0.75	0.86
4	?_a	418	418	73.55	0.49	0.56	0.72
4	?_a	297	297	13.22	0.31	0.75	0.86
5	?_a	297	297	13.20	0.31	0.75	0.86
5	A₁	2428	2428	54.15	94.21	0.08	0.15
6	E	1005	1005	255.11	0.51	0.75	0.86
6	E	1005	1005	255.31	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.328
H2	0.000	0.000	1.780
F3	0.000	1.472	-0.236
F4	1.275	-0.736	-0.236
F5	-1.275	-0.736	-0.236

	Si1	H2	F3	F4	F5
Si1		1.4522	1.5764	1.5764	1.5764
H2	1.4522		2.4966	2.4966	2.4966
F3	1.5764	2.4966		2.5494	2.5494
F4	1.5764	2.4966	2.5494		2.5494
F5	1.5764	2.4966	2.5494	2.5494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.979	H2	Si1	F4	110.979
H2	Si1	F5	110.979	F3	Si1	F4	107.922
F3	Si1	F5	107.922	F4	Si1	F5	107.922

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: M06-2X/daug-cc-pVTZ

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	1.858
2	H	0.148
3	F	-0.669
4	F	-0.669
5	F	-0.669

	x	y	z	Total
	0.000	0.000	1.549	1.549
CHELPG
AIM
ESP

<r²>	82.379
(<r²>)^1/2	9.076

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)