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	hartrees
Energy at 0K	-1701.509455
Energy at 298.15K	-1701.512421
HF Energy	-1701.509455
Nuclear repulsion energy	416.091575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2169	2157	38.72
2	A₁	875	870	194.44
3	A₁	827	822	39.10
4	A₁	363	361	14.49
5	A₁	253	252	8.49
6	A₂	203	202	0.00
7	E	2200	2188	72.31
7	E	2200	2188	72.32
8	E	900	895	47.53
8	E	900	895	47.52
9	E	664	661	22.90
9	E	664	661	22.88
10	E	554	551	133.12
10	E	554	551	133.08
11	E	238	237	0.02
11	E	238	237	0.02
12	E	157	156	0.00
12	E	157	156	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.943
C2	0.000	0.000	-0.006
H3	0.000	-1.431	2.384
H4	1.240	0.716	2.384
H5	-1.240	0.716	2.384
Cl6	0.000	1.785	-0.673
Cl7	1.546	-0.892	-0.673
Cl8	-1.546	-0.892	-0.673

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9492	1.4977	1.4977	1.4977	3.1667	3.1667	3.1667
C2	1.9492		2.7857	2.7857	2.7857	1.9051	1.9051	1.9051
H3	1.4977	2.7857		2.4793	2.4793	4.4369	3.4673	3.4673
H4	1.4977	2.7857	2.4793		2.4793	3.4673	3.4673	4.4369
H5	1.4977	2.7857	2.4793	2.4793		3.4673	4.4369	3.4673
Cl6	3.1667	1.9051	4.4369	3.4673	3.4673		3.0910	3.0910
Cl7	3.1667	1.9051	3.4673	3.4673	4.4369	3.0910		3.0910
Cl8	3.1667	1.9051	3.4673	4.4369	3.4673	3.0910	3.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.488	Si1	C2	Cl7	110.488
Si1	C2	Cl8	110.488	C2	Si1	H3	107.111
C2	Si1	H4	107.111	C2	Si1	H5	107.111
H3	Si1	H4	111.725	H3	Si1	H5	111.725
H4	Si1	H5	111.725	Cl6	C2	Cl7	108.435
Cl6	C2	Cl8	108.435	Cl7	C2	Cl8	108.435

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

using model chemistry: BLYP/3-21G

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	0.682
2	C	-0.749
3	H	-0.065
4	H	-0.065
5	H	-0.065
6	Cl	0.087
7	Cl	0.087
8	Cl	0.087

<r²>	298.537
(<r²>)^1/2	17.278

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

using model chemistry: BLYP/3-21G

States and conformations

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