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	hartrees
Energy at 0K	-1710.112658
Energy at 298.15K	-1710.115946
HF Energy	-1710.112658
Nuclear repulsion energy	436.110338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2247	2163	46.64
2	A₁	932	897	229.40
3	A₁	866	834	29.85
4	A₁	420	404	8.37
5	A₁	278	268	9.31
6	A₂	191	184	0.00
7	E	2265	2180	77.36
7	E	2265	2180	77.36
8	E	950	914	53.07
8	E	950	914	53.08
9	E	727	699	36.47
9	E	727	699	36.47
10	E	603	580	79.43
10	E	603	580	79.42
11	E	266	256	0.12
11	E	266	256	0.13
12	E	158	152	0.06
12	E	158	152	0.06

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.871
C2	0.000	0.000	-0.051
H3	0.000	-1.408	2.312
H4	1.219	0.704	2.312
H5	-1.219	0.704	2.312
Cl6	0.000	1.692	-0.644
Cl7	1.465	-0.846	-0.644
Cl8	-1.465	-0.846	-0.644

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9221	1.4755	1.4755	1.4755	3.0309	3.0309	3.0309
C2	1.9221		2.7508	2.7508	2.7508	1.7927	1.7927	1.7927
H3	1.4755	2.7508		2.4389	2.4389	4.2832	3.3464	3.3464
H4	1.4755	2.7508	2.4389		2.4389	3.3464	3.3464	4.2832
H5	1.4755	2.7508	2.4389	2.4389		3.3464	4.2832	3.3464
Cl6	3.0309	1.7927	4.2832	3.3464	3.3464		2.9305	2.9305
Cl7	3.0309	1.7927	3.3464	3.3464	4.2832	2.9305		2.9305
Cl8	3.0309	1.7927	3.3464	4.2832	3.3464	2.9305	2.9305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.302	Si1	C2	Cl7	109.302
Si1	C2	Cl8	109.302	C2	Si1	H3	107.387
C2	Si1	H4	107.387	C2	Si1	H5	107.387
H3	Si1	H4	111.473	H3	Si1	H5	111.473
H4	Si1	H5	111.473	Cl6	C2	Cl7	109.640
Cl6	C2	Cl8	109.640	Cl7	C2	Cl8	109.640

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

using model chemistry: B3LYP/Def2TZVPP

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	0.241
2	C	0.107
3	H	-0.034
4	H	-0.034
5	H	-0.034
6	Cl	-0.082
7	Cl	-0.082
8	Cl	-0.082

<r²>	274.475
(<r²>)^1/2	16.567

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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