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	hartrees
Energy at 0K	-1709.661051
Energy at 298.15K	-1709.664328
HF Energy	-1709.661051
Nuclear repulsion energy	438.548988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2940	0.01
2	A₁	1326	1272	36.04
3	A₁	767	736	76.55
4	A₁	447	429	24.18
5	A₁	236	227	14.00
6	A₂	175	168	0.00
7	E	3156	3028	0.61
7	E	3156	3028	0.61
8	E	1464	1405	6.38
8	E	1464	1405	6.38
9	E	843	809	93.87
9	E	843	809	93.85
10	E	578	555	165.01
10	E	578	555	164.98
11	E	221	212	4.12
11	E	221	212	4.12
12	E	158	152	0.45
12	E	158	152	0.45

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.102
Cl3	0.000	1.916	-0.464
Cl4	1.659	-0.958	-0.464
Cl5	-1.659	-0.958	-0.464
H6	0.000	-1.024	2.484
H7	0.887	0.512	2.484
H8	-0.887	0.512	2.484

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8447	2.0475	2.0475	2.0475	2.4503	2.4503	2.4503
C2	1.8447		3.2027	3.2027	3.2027	1.0926	1.0926	1.0926
Cl3	2.0475	3.2027		3.3189	3.3189	4.1632	3.3834	3.3834
Cl4	2.0475	3.2027	3.3189		3.3189	3.3834	3.3834	4.1632
Cl5	2.0475	3.2027	3.3189	3.3189		3.3834	4.1632	3.3834
H6	2.4503	1.0926	4.1632	3.3834	3.3834		1.7733	1.7733
H7	2.4503	1.0926	3.3834	3.3834	4.1632	1.7733		1.7733
H8	2.4503	1.0926	3.3834	4.1632	3.3834	1.7733	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.436	Si1	C2	H7	110.436
Si1	C2	H8	110.436	C2	Si1	Cl3	110.635
C2	Si1	Cl4	110.635	C2	Si1	Cl5	110.635
Cl3	Si1	Cl4	108.283	Cl3	Si1	Cl5	108.283
Cl4	Si1	Cl5	108.283	H6	C2	H7	108.490
H6	C2	H8	108.490	H7	C2	H8	108.490

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: HSEh1PBE/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	0.938
2	C	-0.992
3	Cl	-0.257
4	Cl	-0.257
5	Cl	-0.257
6	H	0.275
7	H	0.275
8	H	0.275

<r²>	284.045
(<r²>)^1/2	16.854

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)