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	hartrees
Energy at 0K	-751.596440
Energy at 298.15K
HF Energy	-751.596440
Nuclear repulsion energy	85.678714

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	2194	2194	55.30	278.31	0.01	0.02
2	A₁	933	933	241.83	5.75	0.53	0.69
3	A₁	520	520	67.38	9.47	0.26	0.41
4	E	2208	2208	105.87	77.89	0.75	0.86
4	E	2208	2208	105.93	77.82	0.75	0.86
5	E	937	937	55.38	12.19	0.75	0.86
5	E	937	937	55.39	12.22	0.75	0.86
6	E	646	646	21.76	7.23	0.75	0.86
6	E	646	646	21.77	7.22	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	1.405	-1.466
H4	1.217	-0.703	-1.466
H5	-1.217	-0.703	-1.466

	Si1	Cl2	H3	H4	H5
Si1		2.0732	1.4822	1.4822	1.4822
Cl2	2.0732		2.9067	2.9067	2.9067
H3	1.4822	2.9067		2.4342	2.4342
H4	1.4822	2.9067	2.4342		2.4342
H5	1.4822	2.9067	2.4342	2.4342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Si1	H3	108.531	Cl2	Si1	H4	108.531
Cl2	Si1	H5	108.531	H3	Si1	H4	110.395
H3	Si1	H5	110.395	H4	Si1	H5	110.395

All results from a given calculation for SiH₃Cl (chlorosilane)

using model chemistry: B97D3/cc-pV(T+d)Z

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	0.428
2	Cl	-0.240
3	H	-0.063
4	H	-0.063
5	H	-0.063

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

<r²>	63.167
(<r²>)^1/2	7.948

All results from a given calculation for SiH3Cl (chlorosilane)

using model chemistry: B97D3/cc-pV(T+d)Z

States and conformations

All results from a given calculation for SiH₃Cl (chlorosilane)