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	hartrees
Energy at 0K	-751.591782
Energy at 298.15K
HF Energy	-751.591782
Nuclear repulsion energy	86.357912

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	2254	2254	52.60	278.97	0.01	0.02
2	A₁	945	945	236.96	2.64	0.46	0.63
3	A₁	550	550	69.19	10.35	0.14	0.24
4	E	2267	2267	90.42	71.12	0.75	0.86
4	E	2267	2267	90.44	71.12	0.75	0.86
5	E	952	952	51.96	8.71	0.75	0.86
5	E	952	952	51.96	8.70	0.75	0.86
6	E	658	658	22.49	3.27	0.75	0.86
6	E	658	658	22.50	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.986
Cl2	0.000	0.000	1.068
H3	0.000	1.402	-1.454
H4	1.214	-0.701	-1.454
H5	-1.214	-0.701	-1.454

	Si1	Cl2	H3	H4	H5
Si1		2.0542	1.4778	1.4778	1.4778
Cl2	2.0542		2.8855	2.8855	2.8855
H3	1.4778	2.8855		2.4278	2.4278
H4	1.4778	2.8855	2.4278		2.4278
H5	1.4778	2.8855	2.4278	2.4278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.463	Cl2	Si1	H4	108.463
Cl2	Si1	H5	108.463	H3	Si1	H4	110.460
H3	Si1	H5	110.460	H4	Si1	H5	110.460

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	0.497
2	Cl	-0.360
3	H	-0.045
4	H	-0.045
5	H	-0.045

	x	y	z	Total
	0.000	0.000	-1.296	1.296
CHELPG
AIM
ESP

<r²>	62.426
(<r²>)^1/2	7.901

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)