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	hartrees
Energy at 0K	-1709.339670
Energy at 298.15K	-1709.342765
HF Energy	-1709.339670
Nuclear repulsion energy	433.884639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2960	0.00
2	A₁	1257	1243	23.71
3	A₁	735	726	70.89
4	A₁	428	423	20.93
5	A₁	223	221	11.98
6	A₂	168	166	0.00
7	E	3093	3058	0.29
7	E	3093	3058	0.29
8	E	1407	1391	5.11
8	E	1407	1391	5.11
9	E	807	798	83.26
9	E	807	798	83.25
10	E	558	552	149.50
10	E	558	552	149.51
11	E	210	207	2.87
11	E	210	207	2.87
12	E	149	147	0.67
12	E	149	147	0.67

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.120
Cl3	0.000	1.939	-0.467
Cl4	1.679	-0.970	-0.467
Cl5	-1.679	-0.970	-0.467
H6	0.000	-1.035	2.498
H7	0.896	0.518	2.498
H8	-0.896	0.518	2.498

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8634	2.0698	2.0698	2.0698	2.4683	2.4683	2.4683
C2	1.8634		3.2334	3.2334	3.2334	1.1017	1.1017	1.1017
Cl3	2.0698	3.2334		3.3586	3.3586	4.1995	3.4080	3.4080
Cl4	2.0698	3.2334	3.3586		3.3586	3.4080	3.4080	4.1995
Cl5	2.0698	3.2334	3.3586	3.3586		3.4080	4.1995	3.4080
H6	2.4683	1.1017	4.1995	3.4080	3.4080		1.7927	1.7927
H7	2.4683	1.1017	3.4080	3.4080	4.1995	1.7927		1.7927
H8	2.4683	1.1017	3.4080	4.1995	3.4080	1.7927	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.034	Si1	C2	H7	110.034
Si1	C2	H8	110.034	C2	Si1	Cl3	110.474
C2	Si1	Cl4	110.474	C2	Si1	Cl5	110.474
Cl3	Si1	Cl4	108.450	Cl3	Si1	Cl5	108.450
Cl4	Si1	Cl5	108.450	H6	C2	H7	108.902
H6	C2	H8	108.902	H7	C2	H8	108.902

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31+G**

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	0.221
2	C	-0.655
3	Cl	-0.070
4	Cl	-0.070
5	Cl	-0.070
6	H	0.215
7	H	0.215
8	H	0.215

<r²>	289.045
(<r²>)^1/2	17.001

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)