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	hartrees
Energy at 0K	-1709.972154
Energy at 298.15K	-1709.975445
HF Energy	-1709.972154
Nuclear repulsion energy	433.311171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2265	2176	50.65
2	A₁	932	896	231.70
3	A₁	868	834	37.88
4	A₁	418	402	8.85
5	A₁	281	270	10.44
6	A₂	186	179	0.00
7	E	2287	2197	99.39
7	E	2287	2197	99.39
8	E	950	913	58.34
8	E	950	913	58.35
9	E	732	703	49.36
9	E	732	703	49.36
10	E	603	579	90.18
10	E	603	579	90.19
11	E	271	260	0.03
11	E	271	260	0.03
12	E	161	155	0.01
12	E	161	155	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.885
C2	0.000	0.000	-0.045
H3	0.000	-1.412	2.328
H4	1.223	0.706	2.328
H5	-1.223	0.706	2.328
Cl6	0.000	1.703	-0.649
Cl7	1.475	-0.852	-0.649
Cl8	-1.475	-0.852	-0.649

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9307	1.4794	1.4794	1.4794	3.0536	3.0536	3.0536
C2	1.9307		2.7612	2.7612	2.7612	1.8070	1.8070	1.8070
H3	1.4794	2.7612		2.4451	2.4451	4.3086	3.3692	3.3692
H4	1.4794	2.7612	2.4451		2.4451	3.3692	3.3692	4.3086
H5	1.4794	2.7612	2.4451	2.4451		3.3692	4.3086	3.3692
Cl6	3.0536	1.8070	4.3086	3.3692	3.3692		2.9498	2.9498
Cl7	3.0536	1.8070	3.3692	3.3692	4.3086	2.9498		2.9498
Cl8	3.0536	1.8070	3.3692	4.3086	3.3692	2.9498	2.9498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.525	Si1	C2	Cl7	109.525
Si1	C2	Cl8	109.525	C2	Si1	H3	107.401
C2	Si1	H4	107.401	C2	Si1	H5	107.401
H3	Si1	H4	111.460	H3	Si1	H5	111.460
H4	Si1	H5	111.460	Cl6	C2	Cl7	109.418
Cl6	C2	Cl8	109.418	Cl7	C2	Cl8	109.418

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: B3LYP/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	0.526
2	C	-0.428
3	H	-0.067
4	H	-0.067
5	H	-0.067
6	Cl	0.034
7	Cl	0.034
8	Cl	0.034

<r²>	277.458
(<r²>)^1/2	16.657

All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)