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	hartrees
Energy at 0K	-1709.144074
Energy at 298.15K	-1709.147209
HF Energy	-1709.144074
Nuclear repulsion energy	432.762697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2196	2166	47.66
2	A₁	891	879	144.33
3	A₁	839	828	80.50
4	A₁	412	407	8.31
5	A₁	275	271	9.80
6	A₂	187	184	0.00
7	E	2223	2192	87.60
7	E	2223	2192	87.60
8	E	905	893	48.66
8	E	905	893	48.66
9	E	702	692	64.18
9	E	701	692	64.17
10	E	578	570	85.24
10	E	578	570	85.30
11	E	264	260	0.08
11	E	264	260	0.08
12	E	152	150	0.00
12	E	152	150	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.883
C2	0.000	0.000	-0.051
H3	0.000	-1.424	2.331
H4	1.234	0.712	2.331
H5	-1.234	0.712	2.331
Cl6	0.000	1.707	-0.648
Cl7	1.478	-0.853	-0.648
Cl8	-1.478	-0.853	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9333	1.4933	1.4933	1.4933	3.0523	3.0523	3.0523
C2	1.9333		2.7751	2.7751	2.7751	1.8080	1.8080	1.8080
H3	1.4933	2.7751		2.4671	2.4671	4.3217	3.3741	3.3741
H4	1.4933	2.7751	2.4671		2.4671	3.3741	3.3741	4.3217
H5	1.4933	2.7751	2.4671	2.4671		3.3741	4.3217	3.3741
Cl6	3.0523	1.8080	4.3217	3.3741	3.3741		2.9558	2.9558
Cl7	3.0523	1.8080	3.3741	3.3741	4.3217	2.9558		2.9558
Cl8	3.0523	1.8080	3.3741	4.3217	3.3741	2.9558	2.9558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.291	Si1	C2	Cl7	109.291
Si1	C2	Cl8	109.291	C2	Si1	H3	107.471
C2	Si1	H4	107.471	C2	Si1	H5	107.471
H3	Si1	H4	111.395	H3	Si1	H5	111.395
H4	Si1	H5	111.395	Cl6	C2	Cl7	109.650
Cl6	C2	Cl8	109.650	Cl7	C2	Cl8	109.650

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	Si	0.403
2	C	-0.479
3	H	-0.033
4	H	-0.033
5	H	-0.033
6	Cl	0.058
7	Cl	0.058
8	Cl	0.058

<r²>	277.895
(<r²>)^1/2	16.670

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

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

States and conformations

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