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	hartrees
Energy at 0K	-1706.789769
Energy at 298.15K	-1706.793318
HF Energy	-1706.789769
Nuclear repulsion energy	426.375705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2342	2109	55.40
2	A₁	984	886	375.31
3	A₁	916	825	1.50
4	A₁	418	376	14.25
5	A₁	292	263	14.67
6	A₂	191	172	0.00
7	E	2349	2115	95.44
7	E	2349	2115	95.44
8	E	1020	918	85.38
8	E	1020	918	85.38
9	E	793	714	24.37
9	E	793	714	24.37
10	E	652	587	103.78
10	E	652	587	103.78
11	E	283	255	0.33
11	E	283	255	0.33
12	E	183	165	0.01
12	E	183	165	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.918
C2	0.000	0.000	-0.021
H3	0.000	-1.411	2.343
H4	1.222	0.706	2.343
H5	-1.222	0.706	2.343
Cl6	0.000	1.732	-0.662
Cl7	1.500	-0.866	-0.662
Cl8	-1.500	-0.866	-0.662

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9386	1.4736	1.4736	1.4736	3.1074	3.1074	3.1074
C2	1.9386		2.7525	2.7525	2.7525	1.8470	1.8470	1.8470
H3	1.4736	2.7525		2.4440	2.4440	4.3482	3.4022	3.4022
H4	1.4736	2.7525	2.4440		2.4440	3.4022	3.4022	4.3482
H5	1.4736	2.7525	2.4440	2.4440		3.4022	4.3482	3.4022
Cl6	3.1074	1.8470	4.3482	3.4022	3.4022		3.0002	3.0002
Cl7	3.1074	1.8470	3.4022	3.4022	4.3482	3.0002		3.0002
Cl8	3.1074	1.8470	3.4022	4.3482	3.4022	3.0002	3.0002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.313	Si1	C2	Cl7	110.313
Si1	C2	Cl8	110.313	C2	Si1	H3	106.754
C2	Si1	H4	106.754	C2	Si1	H5	106.754
H3	Si1	H4	112.047	H3	Si1	H5	112.047
H4	Si1	H5	112.047	Cl6	C2	Cl7	108.616
Cl6	C2	Cl8	108.616	Cl7	C2	Cl8	108.616

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

using model chemistry: HF/SDD

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	1.043
2	C	-0.661
3	H	-0.144
4	H	-0.144
5	H	-0.144
6	Cl	0.017
7	Cl	0.017
8	Cl	0.017

<r²>	286.977
(<r²>)^1/2	16.940

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

using model chemistry: HF/SDD

States and conformations

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