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	hartrees
Energy at 0K	-1670.774990
Energy at 298.15K	-1670.776624
HF Energy	-1670.774990
Nuclear repulsion energy	336.628897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2295	2215	47.62
2	A₁	487	470	23.57
3	A₁	246	238	6.89
4	E	790	762	120.15
4	E	790	762	120.16
5	E	590	570	137.40
5	E	590	570	137.39
6	E	169	164	1.75
6	E	169	164	1.74

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.504
H2	0.000	0.000	1.975
Cl3	0.000	1.930	-0.177
Cl4	1.672	-0.965	-0.177
Cl5	-1.672	-0.965	-0.177

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4706	2.0470	2.0470	2.0470
H2	1.4706		2.8908	2.8908	2.8908
Cl3	2.0470	2.8908		3.3433	3.3433
Cl4	2.0470	2.8908	3.3433		3.3433
Cl5	2.0470	2.8908	3.3433	3.3433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	Cl3	109.444	H2	Si1	Cl4	109.444
H2	Si1	Cl5	109.444	Cl3	Si1	Cl4	109.498
Cl3	Si1	Cl5	109.498	Cl4	Si1	Cl5	109.499

All results from a given calculation for SiHCl₃ (Trichlorosilane)

using model chemistry: B3PW91/aug-cc-pVTZ

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	1.068
2	H	-0.172
3	Cl	-0.299
4	Cl	-0.299
5	Cl	-0.299

	x	y	z	Total
	0.000	0.000	0.880	0.880
CHELPG
AIM
ESP

	x	y	z
x	10.514	0.000	0.000
y	0.000	10.514	-0.000
z	0.000	-0.000	8.359

<r²>	230.336
(<r²>)^1/2	15.177

All results from a given calculation for SiHCl3 (Trichlorosilane)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiHCl₃ (Trichlorosilane)