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	hartrees
Energy at 0K	-751.580990
Energy at 298.15K
HF Energy	-751.580990
Nuclear repulsion energy	86.309117

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	2265	2169	55.13	204.14	0.01	0.03
2	A₁	946	906	249.22	5.72	0.68	0.81
3	A₁	555	532	68.33	9.75	0.22	0.36
4	E	2278	2182	102.64	63.09	0.75	0.86
4	E	2278	2182	102.68	63.07	0.75	0.86
5	E	950	910	54.36	12.71	0.75	0.86
5	E	950	910	54.38	12.72	0.75	0.86
6	E	658	630	23.46	6.84	0.75	0.86
6	E	658	630	23.49	6.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.987
Cl2	0.000	0.000	1.069
H3	0.000	1.400	-1.455
H4	1.213	-0.700	-1.455
H5	-1.213	-0.700	-1.455

	Si1	Cl2	H3	H4	H5
Si1		2.0561	1.4766	1.4766	1.4766
Cl2	2.0561		2.8866	2.8866	2.8866
H3	1.4766	2.8866		2.4257	2.4257
H4	1.4766	2.8866	2.4257		2.4257
H5	1.4766	2.8866	2.4257	2.4257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.480	Cl2	Si1	H4	108.480
Cl2	Si1	H5	108.480	H3	Si1	H4	110.444
H3	Si1	H5	110.444	H4	Si1	H5	110.444

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: B1B95/6-31G(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	0.127
2	Cl	-0.197
3	H	0.023
4	H	0.023
5	H	0.023

	x	y	z	Total
	0.000	0.000	-1.356	1.356
CHELPG
AIM
ESP

<r²>	62.216
(<r²>)^1/2	7.888

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)