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	hartrees
Energy at 0K	-1709.259785
Energy at 298.15K	-1709.262931
HF Energy	-1709.259785
Nuclear repulsion energy	433.217637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2183	2160	43.77
2	A₁	889	879	165.39
3	A₁	837	828	73.09
4	A₁	411	407	9.25
5	A₁	275	272	8.21
6	A₂	188	186	0.00
7	E	2206	2183	70.04
7	E	2206	2183	70.04
8	E	904	894	52.52
8	E	904	894	52.51
9	E	695	688	56.85
9	E	695	688	56.83
10	E	577	571	99.21
10	E	577	571	99.26
11	E	266	264	0.40
11	E	266	264	0.40
12	E	154	152	0.00
12	E	154	152	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.880
C2	0.000	0.000	-0.049
H3	0.000	-1.425	2.323
H4	1.234	0.713	2.323
H5	-1.234	0.713	2.323
Cl6	0.000	1.705	-0.647
Cl7	1.477	-0.852	-0.647
Cl8	-1.477	-0.852	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9294	1.4926	1.4926	1.4926	3.0487	3.0487	3.0487
C2	1.9294		2.7675	2.7675	2.7675	1.8068	1.8068	1.8068
H3	1.4926	2.7675		2.4690	2.4690	4.3152	3.3660	3.3660
H4	1.4926	2.7675	2.4690		2.4690	3.3660	3.3660	4.3152
H5	1.4926	2.7675	2.4690	2.4690		3.3660	4.3152	3.3660
Cl6	3.0487	1.8068	4.3152	3.3660	3.3660		2.9531	2.9531
Cl7	3.0487	1.8068	3.3660	3.3660	4.3152	2.9531		2.9531
Cl8	3.0487	1.8068	3.3660	4.3152	3.3660	2.9531	2.9531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.325	Si1	C2	Cl7	109.325
Si1	C2	Cl8	109.325	C2	Si1	H3	107.253
C2	Si1	H4	107.253	C2	Si1	H5	107.253
H3	Si1	H4	111.595	H3	Si1	H5	111.595
H4	Si1	H5	111.595	Cl6	C2	Cl7	109.617
Cl6	C2	Cl8	109.617	Cl7	C2	Cl8	109.617

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

using model chemistry: PBEPBE/6-311G*

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	0.480
2	C	-0.607
3	H	-0.015
4	H	-0.015
5	H	-0.015
6	Cl	0.057
7	Cl	0.057
8	Cl	0.057

	x	y	z
x	10.896	0.000	0.000
y	0.000	10.896	-0.000
z	0.000	-0.000	9.636

<r²>	278.114
(<r²>)^1/2	16.677

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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