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	hartrees
Energy at 0K	-391.061974
Energy at 298.15K
HF Energy	-390.938487
Nuclear repulsion energy	62.811409

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	2283	2190	31.06	260.14	0.03	0.07
2	A₁	1007	966	201.71	3.73	0.74	0.85
3	A₁	871	836	64.00	4.57	0.35	0.52
4	E	2289	2196	144.28	54.97	0.75	0.86
4	E	2289	2196	144.28	54.97	0.75	0.86
5	E	978	938	93.22	10.36	0.75	0.86
5	E	978	938	93.22	10.36	0.75	0.86
6	E	733	703	57.75	8.76	0.75	0.86
6	E	733	703	57.75	8.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.504
F2	0.000	0.000	-1.107
H3	0.000	1.401	0.968
H4	-1.213	-0.700	0.968
H5	1.213	-0.700	0.968

	Si1	F2	H3	H4	H5
Si1		1.6111	1.4754	1.4754	1.4754
F2	1.6111		2.5031	2.5031	2.5031
H3	1.4754	2.5031		2.4261	2.4261
H4	1.4754	2.5031	2.4261		2.4261
H5	1.4754	2.5031	2.4261	2.4261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.307	F2	Si1	H4	108.307
F2	Si1	H5	108.307	H3	Si1	H4	110.610
H3	Si1	H5	110.610	H4	Si1	H5	110.610

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP/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	0.448
2	F	-0.303
3	H	-0.048
4	H	-0.048
5	H	-0.048

	x	y	z	Total
	0.000	0.000	1.281	1.281
CHELPG
AIM
ESP

<r²>	35.932
(<r²>)^1/2	5.994

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)