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	hartrees
Energy at 0K	-1670.196983
Energy at 298.15K	-1670.198656
HF Energy	-1670.196983
Nuclear repulsion energy	337.107682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2351	2234	82.62
2	A₁	497	473	33.64
3	A₁	253	241	12.03
4	E	810	770	166.60
4	E	810	770	166.62
5	E	609	579	152.24
5	E	609	579	152.24
6	E	175	166	2.96
6	E	175	166	2.96

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.499
H2	0.000	0.000	1.971
Cl3	0.000	1.926	-0.176
Cl4	1.668	-0.963	-0.176
Cl5	-1.668	-0.963	-0.176

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4719	2.0405	2.0405	2.0405
H2	1.4719		2.8838	2.8838	2.8838
Cl3	2.0405	2.8838		3.3355	3.3355
Cl4	2.0405	2.8838	3.3355		3.3355
Cl5	2.0405	2.8838	3.3355	3.3355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.305	H2	Si1	Cl4	109.305
H2	Si1	Cl5	109.305	Cl3	Si1	Cl4	109.637
Cl3	Si1	Cl5	109.637	Cl4	Si1	Cl5	109.637

All results from a given calculation for SiHCl₃ (Trichlorosilane)

using model chemistry: PBE1PBE/6-31G*

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	0.566
2	H	-0.006
3	Cl	-0.187
4	Cl	-0.187
5	Cl	-0.187

	x	y	z	Total
	0.000	0.000	1.141	1.141
CHELPG
AIM
ESP

<r²>	230.369
(<r²>)^1/2	15.178

All results from a given calculation for SiHCl3 (Trichlorosilane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)