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	hartrees
Energy at 0K	-1709.564814
Energy at 298.15K	-1709.567966
HF Energy	-1709.564814
Nuclear repulsion energy	435.043695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	2951	0.12
2	A₁	1265	1216	19.86
3	A₁	761	732	78.24
4	A₁	445	428	21.56
5	A₁	226	217	11.98
6	A₂	148	143	0.00
7	E	3180	3057	0.01
7	E	3180	3057	0.01
8	E	1415	1360	3.47
8	E	1415	1360	3.47
9	E	811	780	89.99
9	E	811	780	89.98
10	E	580	557	146.07
10	E	580	557	146.06
11	E	211	203	2.92
11	E	211	203	2.92
12	E	150	145	0.68
12	E	150	145	0.68

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.267
C2	0.000	0.000	2.120
Cl3	0.000	1.931	-0.469
Cl4	1.672	-0.965	-0.469
Cl5	-1.672	-0.965	-0.469
H6	0.000	-1.035	2.492
H7	0.897	0.518	2.492
H8	-0.897	0.518	2.492

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8532	2.0665	2.0665	2.0665	2.4542	2.4542	2.4542
C2	1.8532		3.2302	3.2302	3.2302	1.1002	1.1002	1.1002
Cl3	2.0665	3.2302		3.3443	3.3443	4.1916	3.4018	3.4018
Cl4	2.0665	3.2302	3.3443		3.3443	3.4018	3.4018	4.1916
Cl5	2.0665	3.2302	3.3443	3.3443		3.4018	4.1916	3.4018
H6	2.4542	1.1002	4.1916	3.4018	3.4018		1.7933	1.7933
H7	2.4542	1.1002	3.4018	3.4018	4.1916	1.7933		1.7933
H8	2.4542	1.1002	3.4018	4.1916	3.4018	1.7933	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.761	Si1	C2	H7	109.761
Si1	C2	H8	109.761	C2	Si1	Cl3	110.878
C2	Si1	Cl4	110.878	C2	Si1	Cl5	110.878
Cl3	Si1	Cl4	108.028	Cl3	Si1	Cl5	108.028
Cl4	Si1	Cl5	108.028	H6	C2	H7	109.180
H6	C2	H8	109.180	H7	C2	H8	109.180

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/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	0.557
2	C	-0.247
3	Cl	-0.196
4	Cl	-0.196
5	Cl	-0.196
6	H	0.093
7	H	0.093
8	H	0.093

<r²>	286.815
(<r²>)^1/2	16.936

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)