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	hartrees
Energy at 0K	-589.931441
Energy at 298.15K
HF Energy	-589.931441
Nuclear repulsion energy	185.345038

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	2309	2296	57.07	104.20	0.11	0.20
2	A₁	791	786	71.97	8.61	0.00	0.01
3	A₁	398	395	57.62	0.79	0.53	0.70
4	E	931	926	243.31	0.73	0.75	0.86
4	E	931	926	243.28	0.73	0.75	0.86
5	E	801	797	10.51	5.48	0.75	0.86
5	E	801	797	10.51	5.48	0.75	0.86
6	E	286	284	10.40	0.57	0.75	0.86
6	E	286	284	10.40	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.325
H2	0.000	0.000	1.788
F3	0.000	1.498	-0.235
F4	1.298	-0.749	-0.235
F5	-1.298	-0.749	-0.235

	Si1	H2	F3	F4	F5
Si1		1.4633	1.5995	1.5995	1.5995
H2	1.4633		2.5174	2.5174	2.5174
F3	1.5995	2.5174		2.5953	2.5953
F4	1.5995	2.5174	2.5953		2.5953
F5	1.5995	2.5174	2.5953	2.5953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.481	H2	Si1	F4	110.481
H2	Si1	F5	110.481	F3	Si1	F4	108.443
F3	Si1	F5	108.443	F4	Si1	F5	108.443

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: BLYP/6-311+G(3df,2p)

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	1.221
2	H	-0.053
3	F	-0.389
4	F	-0.389
5	F	-0.389

	x	y	z	Total
	0.000	0.000	1.364	1.364
CHELPG
AIM
ESP

<r²>	84.710
(<r²>)^1/2	9.204

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)