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	hartrees
Energy at 0K	-1709.330392
Energy at 298.15K	-1709.333487
HF Energy	-1709.330392
Nuclear repulsion energy	433.842812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	2958	0.39
2	A₁	1282	1264	22.95
3	A₁	738	728	71.75
4	A₁	430	424	20.54
5	A₁	225	222	11.91
6	A₂	162	160	0.00
7	E	3095	3051	0.37
7	E	3095	3051	0.37
8	E	1432	1412	4.04
8	E	1432	1412	4.04
9	E	820	808	93.53
9	E	820	808	93.53
10	E	565	557	144.03
10	E	565	557	144.04
11	E	211	208	2.45
11	E	211	208	2.45
12	E	149	147	0.72
12	E	149	147	0.72

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.121
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	2.500
H7	0.897	0.518	2.500
H8	-0.897	0.518	2.500

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8649	2.0697	2.0697	2.0697	2.4707	2.4707	2.4707
C2	1.8649		3.2343	3.2343	3.2343	1.1024	1.1024	1.1024
Cl3	2.0697	3.2343		3.3585	3.3585	4.2012	3.4099	3.4099
Cl4	2.0697	3.2343	3.3585		3.3585	3.4099	3.4099	4.2012
Cl5	2.0697	3.2343	3.3585	3.3585		3.4099	4.2012	3.4099
H6	2.4707	1.1024	4.2012	3.4099	3.4099		1.7934	1.7934
H7	2.4707	1.1024	3.4099	3.4099	4.2012	1.7934		1.7934
H8	2.4707	1.1024	3.4099	4.2012	3.4099	1.7934	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.076	Si1	C2	H7	110.076
Si1	C2	H8	110.076	C2	Si1	Cl3	110.467
C2	Si1	Cl4	110.467	C2	Si1	Cl5	110.467
Cl3	Si1	Cl4	108.458	Cl3	Si1	Cl5	108.458
Cl4	Si1	Cl5	108.458	H6	C2	H7	108.860
H6	C2	H8	108.860	H7	C2	H8	108.860

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31G*

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	0.528
2	C	-0.679
3	Cl	-0.169
4	Cl	-0.169
5	Cl	-0.169
6	H	0.219
7	H	0.219
8	H	0.219

<r²>	288.649
(<r²>)^1/2	16.990

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)