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	hartrees
Energy at 0K	-751.153660
Energy at 298.15K
HF Energy	-751.153660
Nuclear repulsion energy	85.513105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2181	2159	50.01	207.51	0.01	0.03
2	A₁	910	901	218.72	5.90	0.68	0.81
3	A₁	534	528	60.12	10.78	0.22	0.36
4	E	2199	2176	91.20	65.32	0.75	0.86
4	E	2199	2176	91.21	65.31	0.75	0.86
5	E	912	903	45.52	13.07	0.75	0.86
5	E	912	903	45.52	13.07	0.75	0.86
6	E	633	626	19.15	7.39	0.75	0.86
6	E	633	626	19.15	7.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.995
Cl2	0.000	0.000	1.079
H3	0.000	1.415	-1.471
H4	1.225	-0.707	-1.471
H5	-1.225	-0.707	-1.471

	Si1	Cl2	H3	H4	H5
Si1		2.0742	1.4925	1.4925	1.4925
Cl2	2.0742		2.9164	2.9164	2.9164
H3	1.4925	2.9164		2.4500	2.4500
H4	1.4925	2.9164	2.4500		2.4500
H5	1.4925	2.9164	2.4500	2.4500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.609	Cl2	Si1	H4	108.609
Cl2	Si1	H5	108.609	H3	Si1	H4	110.320
H3	Si1	H5	110.320	H4	Si1	H5	110.320

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	0.032
2	Cl	-0.173
3	H	0.047
4	H	0.047
5	H	0.047

	x	y	z	Total
	0.000	0.000	-1.305	1.305
CHELPG
AIM
ESP

<r²>	63.142
(<r²>)^1/2	7.946

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)