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	hartrees
Energy at 0K	-1670.187992
Energy at 298.15K	-1670.189560
HF Energy	-1670.187992
Nuclear repulsion energy	336.010697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2227	2200	52.39
2	A₁	476	470	22.78
3	A₁	241	238	5.86
4	E	768	759	117.35
4	E	768	759	117.37
5	E	580	573	129.02
5	E	580	573	129.04
6	E	166	164	1.45
6	E	166	164	1.45

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.502
H2	0.000	0.000	1.981
Cl3	0.000	1.934	-0.177
Cl4	1.675	-0.967	-0.177
Cl5	-1.675	-0.967	-0.177

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4789	2.0494	2.0494	2.0494
H2	1.4789		2.8971	2.8971	2.8971
Cl3	2.0494	2.8971		3.3497	3.3497
Cl4	2.0494	2.8971	3.3497		3.3497
Cl5	2.0494	2.8971	3.3497	3.3497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.324	H2	Si1	Cl4	109.324
H2	Si1	Cl5	109.324	Cl3	Si1	Cl4	109.618
Cl3	Si1	Cl5	109.618	Cl4	Si1	Cl5	109.618

All results from a given calculation for SiHCl₃ (Trichlorosilane)

using model chemistry: PBEPBE/Def2TZVPP

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	0.551
2	H	-0.034
3	Cl	-0.173
4	Cl	-0.173
5	Cl	-0.173

	x	y	z	Total
	0.000	0.000	0.742	0.742
CHELPG
AIM
ESP

<r²>	230.995
(<r²>)^1/2	15.199

All results from a given calculation for SiHCl3 (Trichlorosilane)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)