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	hartrees
Energy at 0K	-1709.947776
Energy at 298.15K	-1709.951006
HF Energy	-1709.947776
Nuclear repulsion energy	436.678789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2940	0.32
2	A₁	1313	1259	26.78
3	A₁	757	725	77.57
4	A₁	445	427	22.06
5	A₁	233	224	13.87
6	A₂	168	161	0.00
7	E	3167	3036	0.29
7	E	3167	3036	0.29
8	E	1455	1395	4.07
8	E	1455	1395	4.07
9	E	836	801	97.11
9	E	836	801	97.11
10	E	582	558	154.83
10	E	582	558	154.83
11	E	219	210	3.27
11	E	219	210	3.27
12	E	155	148	0.77
12	E	155	148	0.77

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.111
Cl3	0.000	1.925	-0.465
Cl4	1.668	-0.963	-0.465
Cl5	-1.668	-0.963	-0.465
H6	0.000	-1.027	2.487
H7	0.889	0.513	2.487
H8	-0.889	0.513	2.487

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8541	2.0562	2.0562	2.0562	2.4555	2.4555	2.4555
C2	1.8541		3.2158	3.2158	3.2158	1.0937	1.0937	1.0937
Cl3	2.0562	3.2158		3.3351	3.3351	4.1751	3.3910	3.3910
Cl4	2.0562	3.2158	3.3351		3.3351	3.3910	3.3910	4.1751
Cl5	2.0562	3.2158	3.3351	3.3351		3.3910	4.1751	3.3910
H6	2.4555	1.0937	4.1751	3.3910	3.3910		1.7787	1.7787
H7	2.4555	1.0937	3.3910	3.3910	4.1751	1.7787		1.7787
H8	2.4555	1.0937	3.3910	4.1751	3.3910	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.127	Si1	C2	H7	110.127
Si1	C2	H8	110.127	C2	Si1	Cl3	110.542
C2	Si1	Cl4	110.542	C2	Si1	Cl5	110.542
Cl3	Si1	Cl4	108.379	Cl3	Si1	Cl5	108.379
Cl4	Si1	Cl5	108.379	H6	C2	H7	108.808
H6	C2	H8	108.808	H7	C2	H8	108.808

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3PW91/6-31G**

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	0.644
2	C	-0.601
3	Cl	-0.198
4	Cl	-0.198
5	Cl	-0.198
6	H	0.183
7	H	0.183
8	H	0.183

<r²>	285.411
(<r²>)^1/2	16.894

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)