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	hartrees
Energy at 0K	-1710.269559
Energy at 298.15K	-1710.272670
HF Energy	-1710.269559
Nuclear repulsion energy	432.653096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2998	2955	0.31
2	A₁	1278	1259	17.91
3	A₁	727	717	73.79
4	A₁	420	414	22.75
5	A₁	224	220	11.57
6	A₂	168	166	0.00
7	E	3089	3044	1.89
7	E	3089	3044	1.89
8	E	1430	1409	4.15
8	E	1430	1409	4.14
9	E	824	812	73.46
9	E	824	812	73.47
10	E	546	538	157.90
10	E	546	538	157.92
11	E	211	208	2.77
11	E	211	208	2.77
12	E	150	147	0.56
12	E	150	147	0.56

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.260
C2	0.000	0.000	2.125
Cl3	0.000	1.946	-0.468
Cl4	1.685	-0.973	-0.468
Cl5	-1.685	-0.973	-0.468
H6	0.000	-1.030	2.497
H7	0.892	0.515	2.497
H8	-0.892	0.515	2.497

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8651	2.0776	2.0776	2.0776	2.4623	2.4623	2.4623
C2	1.8651		3.2424	3.2424	3.2424	1.0947	1.0947	1.0947
Cl3	2.0776	3.2424		3.3698	3.3698	4.2007	3.4112	3.4112
Cl4	2.0776	3.2424	3.3698		3.3698	3.4112	3.4112	4.2007
Cl5	2.0776	3.2424	3.3698	3.3698		3.4112	4.2007	3.4112
H6	2.4623	1.0947	4.2007	3.4112	3.4112		1.7834	1.7834
H7	2.4623	1.0947	3.4112	3.4112	4.2007	1.7834		1.7834
H8	2.4623	1.0947	3.4112	4.2007	3.4112	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.846	Si1	C2	H7	109.846
Si1	C2	H8	109.846	C2	Si1	Cl3	110.536
C2	Si1	Cl4	110.536	C2	Si1	Cl5	110.536
Cl3	Si1	Cl4	108.386	Cl3	Si1	Cl5	108.386
Cl4	Si1	Cl5	108.386	H6	C2	H7	109.094
H6	C2	H8	109.094	H7	C2	H8	109.094

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B97D3/TZVP

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	0.615
2	C	-0.476
3	Cl	-0.194
4	Cl	-0.194
5	Cl	-0.194
6	H	0.148
7	H	0.148
8	H	0.148

	x	y	z
x	10.044	0.000	0.000
y	0.000	10.043	-0.000
z	0.000	-0.000	9.109

<r²>	290.171
(<r²>)^1/2	17.034

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)