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	hartrees
Energy at 0K	-1670.943937
Energy at 298.15K	-1670.945640
Nuclear repulsion energy	337.727740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2327	2227	54.00
2	A₁	493	471	35.30
3	A₁	256	245	12.28
4	E	811	776	160.13
4	E	811	776	160.16
5	E	597	572	164.85
5	E	597	572	164.86
6	E	181	173	2.85
6	E	181	173	2.85

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.499
H2	0.000	0.000	1.967
Cl3	0.000	1.922	-0.176
Cl4	1.664	-0.961	-0.176
Cl5	-1.664	-0.961	-0.176

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4675	2.0370	2.0370	2.0370
H2	1.4675		2.8781	2.8781	2.8781
Cl3	2.0370	2.8781		3.3290	3.3290
Cl4	2.0370	2.8781	3.3290		3.3290
Cl5	2.0370	2.8781	3.3290	3.3290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.345	H2	Si1	Cl4	109.345
H2	Si1	Cl5	109.345	Cl3	Si1	Cl4	109.597
Cl3	Si1	Cl5	109.597	Cl4	Si1	Cl5	109.597

All results from a given calculation for SiHCl₃ (Trichlorosilane)

using model chemistry: mPW1PW91/6-311G**

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	0.759
2	H	-0.030
3	Cl	-0.243
4	Cl	-0.243
5	Cl	-0.243

	x	y	z	Total
	0.000	0.000	1.168	1.168
CHELPG
AIM
ESP

<r²>	230.131
(<r²>)^1/2	15.170

All results from a given calculation for SiHCl3 (Trichlorosilane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)