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	hartrees
Energy at 0K	-1709.908384
Energy at 298.15K	-1709.911798
HF Energy	-1709.908384
Nuclear repulsion energy	436.791825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2233	2233	38.08
2	A₁	925	925	121.88
3	A₁	883	883	113.32
4	A₁	443	443	8.22
5	A₁	285	285	9.49
6	A₂	176	176	0.00
7	E	2256	2256	58.41
7	E	2256	2256	58.45
8	E	948	948	52.17
8	E	948	948	52.62
9	E	799	799	53.04
9	E	798	798	53.34
10	E	607	607	45.66
10	E	607	607	46.58
11	E	275	275	0.00
11	E	275	275	0.01
12	E	165	165	0.12
12	E	164	164	0.14

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.880
C2	0.000	0.000	-0.046
H3	0.000	-1.421	2.305
H4	1.231	0.711	2.305
H5	-1.231	0.711	2.305
Cl6	0.000	1.685	-0.646
Cl7	1.459	-0.842	-0.646
Cl8	-1.459	-0.842	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9265	1.4837	1.4837	1.4837	3.0366	3.0366	3.0366
C2	1.9265		2.7481	2.7481	2.7481	1.7884	1.7884	1.7884
H3	1.4837	2.7481		2.4620	2.4620	4.2850	3.3431	3.3431
H4	1.4837	2.7481	2.4620		2.4620	3.3431	3.3431	4.2850
H5	1.4837	2.7481	2.4620	2.4620		3.3431	4.2850	3.3431
Cl6	3.0366	1.7884	4.2850	3.3431	3.3431		2.9183	2.9183
Cl7	3.0366	1.7884	3.3431	3.3431	4.2850	2.9183		2.9183
Cl8	3.0366	1.7884	3.3431	4.2850	3.3431	2.9183	2.9183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.594	Si1	C2	Cl7	109.594
Si1	C2	Cl8	109.594	C2	Si1	H3	106.661
C2	Si1	H4	106.661	C2	Si1	H5	106.661
H3	Si1	H4	112.130	H3	Si1	H5	112.130
H4	Si1	H5	112.130	Cl6	C2	Cl7	109.348
Cl6	C2	Cl8	109.348	Cl7	C2	Cl8	109.348

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	-0.575
2	C	-0.966
3	H	0.371
4	H	0.371
5	H	0.371
6	Cl	0.142
7	Cl	0.142
8	Cl	0.142

	x	y	z
x	12.393	0.000	0.000
y	0.000	12.394	0.001
z	0.000	0.001	11.991

<r²>	273.801
(<r²>)^1/2	16.547

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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