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	hartrees
Energy at 0K	-751.252748
Energy at 298.15K
HF Energy	-751.180383
Nuclear repulsion energy	85.898936

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	2294	2294	55.53	257.14	0.02	0.04
2	A₁	980	980	346.57	22.94	0.67	0.80
3	A₁	538	538	77.94	10.32	0.33	0.49
4	E	2305	2305	112.26	86.20	0.75	0.86
4	E	2305	2305	112.28	86.20	0.75	0.86
5	E	975	975	80.03	25.22	0.75	0.86
5	E	975	975	80.03	25.22	0.75	0.86
6	E	679	679	32.95	18.75	0.75	0.86
6	E	679	679	32.96	18.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.995
Cl2	0.000	0.000	1.076
H3	0.000	1.400	-1.455
H4	1.212	-0.700	-1.455
H5	-1.212	-0.700	-1.455

	Si1	Cl2	H3	H4	H5
Si1		2.0705	1.4735	1.4735	1.4735
Cl2	2.0705		2.8922	2.8922	2.8922
H3	1.4735	2.8922		2.4243	2.4243
H4	1.4735	2.8922	2.4243		2.4243
H5	1.4735	2.8922	2.4243	2.4243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.214	Cl2	Si1	H4	108.214
Cl2	Si1	H5	108.214	H3	Si1	H4	110.699
H3	Si1	H5	110.699	H4	Si1	H5	110.699

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: B2PLYP/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	0.535
2	Cl	-0.328
3	H	-0.069
4	H	-0.069
5	H	-0.069

	x	y	z	Total
	0.000	0.000	-1.905	1.905
CHELPG
AIM
ESP

<r²>	63.384
(<r²>)^1/2	7.961

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)