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	hartrees
Energy at 0K	-751.543673
Energy at 298.15K
HF Energy	-751.543673
Nuclear repulsion energy	85.758874

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	2247	2168	53.42	199.70	0.01	0.03
2	A₁	955	922	255.15	5.88	0.67	0.80
3	A₁	537	518	66.79	10.33	0.22	0.36
4	E	2261	2181	103.40	62.11	0.75	0.86
4	E	2261	2181	103.41	62.12	0.75	0.86
5	E	957	924	57.06	12.27	0.75	0.86
5	E	957	924	57.06	12.27	0.75	0.86
6	E	659	636	22.51	7.00	0.75	0.86
6	E	659	636	22.52	7.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-0.995
Cl2	0.000	0.000	1.078
H3	0.000	1.402	-1.465
H4	1.214	-0.701	-1.465
H5	-1.214	-0.701	-1.465

	Si1	Cl2	H3	H4	H5
Si1		2.0722	1.4785	1.4785	1.4785
Cl2	2.0722		2.9035	2.9035	2.9035
H3	1.4785	2.9035		2.4276	2.4276
H4	1.4785	2.9035	2.4276		2.4276
H5	1.4785	2.9035	2.4276	2.4276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.558	Cl2	Si1	H4	108.558
Cl2	Si1	H5	108.558	H3	Si1	H4	110.369
H3	Si1	H5	110.369	H4	Si1	H5	110.369

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: B3LYPultrafine/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	-0.205
3	H	0.026
4	H	0.026
5	H	0.026

	x	y	z	Total
	0.000	0.000	-1.409	1.409
CHELPG
AIM
ESP

<r²>	62.957
(<r²>)^1/2	7.935

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)