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	hartrees
Energy at 0K	-391.158274
Energy at 298.15K
HF Energy	-391.158274
Nuclear repulsion energy	62.207325

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	2240	2160	30.93	252.99	0.04	0.08
2	A₁	974	939	212.78	13.02	0.67	0.81
3	A₁	844	814	74.78	5.69	0.47	0.64
4	E	2252	2172	138.55	68.07	0.75	0.86
4	E	2252	2172	138.58	68.07	0.75	0.86
5	E	950	916	88.90	20.29	0.75	0.86
5	E	950	916	88.91	20.29	0.75	0.86
6	E	710	684	55.50	16.93	0.75	0.86
6	E	710	684	55.50	16.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.510
F2	0.000	0.000	-1.118
H3	0.000	1.412	0.972
H4	-1.223	-0.706	0.972
H5	1.223	-0.706	0.972

	Si1	F2	H3	H4	H5
Si1		1.6287	1.4861	1.4861	1.4861
F2	1.6287		2.5230	2.5230	2.5230
H3	1.4861	2.5230		2.4464	2.4464
H4	1.4861	2.5230	2.4464		2.4464
H5	1.4861	2.5230	2.4464	2.4464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.111	F2	Si1	H4	108.111
F2	Si1	H5	108.111	H3	Si1	H4	110.796
H3	Si1	H5	110.796	H4	Si1	H5	110.796

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B3PW91/TZVP

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	0.616
2	F	-0.347
3	H	-0.090
4	H	-0.090
5	H	-0.090

	x	y	z	Total
	0.000	0.000	1.624	1.624
CHELPG
AIM
ESP

<r²>	36.285
(<r²>)^1/2	6.024

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)