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	hartrees
Energy at 0K	-1670.056729
Energy at 298.15K	-1670.058287
Nuclear repulsion energy	333.955167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2250	2224	69.15
2	A₁	472	466	28.39
3	A₁	241	238	9.04
4	E	769	760	141.30
4	E	769	760	141.33
5	E	576	570	148.22
5	E	576	570	148.26
6	E	167	165	2.53
6	E	167	165	2.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.502
H2	0.000	0.000	1.985
Cl3	0.000	1.944	-0.177
Cl4	1.684	-0.972	-0.177
Cl5	-1.684	-0.972	-0.177

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4832	2.0595	2.0595	2.0595
H2	1.4832		2.9078	2.9078	2.9078
Cl3	2.0595	2.9078		3.3679	3.3679
Cl4	2.0595	2.9078	3.3679		3.3679
Cl5	2.0595	2.9078	3.3679	3.3679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.243	H2	Si1	Cl4	109.243
H2	Si1	Cl5	109.243	Cl3	Si1	Cl4	109.699
Cl3	Si1	Cl5	109.699	Cl4	Si1	Cl5	109.699

All results from a given calculation for SiHCl₃ (Trichlorosilane)

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	0.278
2	H	-0.006
3	Cl	-0.091
4	Cl	-0.091
5	Cl	-0.091

	x	y	z	Total
	0.000	0.000	1.091	1.091
CHELPG
AIM
ESP

<r²>	234.396
(<r²>)^1/2	15.310

All results from a given calculation for SiHCl3 (Trichlorosilane)

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

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)