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	hartrees
Energy at 0K	-1709.938197
Energy at 298.15K	-1709.941589
HF Energy	-1709.938197
Nuclear repulsion energy	437.712887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2283	2283	43.17
2	A₁	936	936	210.39
3	A₁	891	891	79.22
4	A₁	443	443	9.29
5	A₁	285	285	8.51
6	A₂	161	161	0.00
7	E	2299	2299	72.11
7	E	2299	2299	73.12
8	E	957	957	65.07
8	E	957	957	65.03
9	E	796	796	61.44
9	E	795	795	62.21
10	E	615	615	63.25
10	E	615	615	64.23
11	E	280	280	0.00
11	E	280	280	0.00
12	E	165	165	0.01
12	E	164	164	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.873
C2	0.000	0.000	-0.047
H3	0.000	-1.411	2.295
H4	1.222	0.705	2.295
H5	-1.222	0.705	2.295
Cl6	0.000	1.684	-0.644
Cl7	1.458	-0.842	-0.644
Cl8	-1.458	-0.842	-0.644

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9201	1.4725	1.4725	1.4725	3.0276	3.0276	3.0276
C2	1.9201		2.7345	2.7345	2.7345	1.7860	1.7860	1.7860
H3	1.4725	2.7345		2.4431	2.4431	4.2674	3.3297	3.3297
H4	1.4725	2.7345	2.4431		2.4431	3.3297	3.3297	4.2674
H5	1.4725	2.7345	2.4431	2.4431		3.3297	4.2674	3.3297
Cl6	3.0276	1.7860	4.2674	3.3297	3.3297		2.9159	2.9159
Cl7	3.0276	1.7860	3.3297	3.3297	4.2674	2.9159		2.9159
Cl8	3.0276	1.7860	3.3297	4.2674	3.3297	2.9159	2.9159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.505	Si1	C2	Cl7	109.505
Si1	C2	Cl8	109.505	C2	Si1	H3	106.678
C2	Si1	H4	106.678	C2	Si1	H5	106.678
H3	Si1	H4	112.114	H3	Si1	H5	112.114
H4	Si1	H5	112.114	Cl6	C2	Cl7	109.438
Cl6	C2	Cl8	109.438	Cl7	C2	Cl8	109.438

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

using model chemistry: M06-2X/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	0.589
2	C	-0.616
3	H	-0.039
4	H	-0.039
5	H	-0.039
6	Cl	0.048
7	Cl	0.048
8	Cl	0.048

	x	y	z
x	10.293	0.000	0.000
y	0.000	10.294	0.001
z	0.000	0.001	8.878

<r²>	273.315
(<r²>)^1/2	16.532

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

using model chemistry: M06-2X/6-311G*

States and conformations

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