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	hartrees
Energy at 0K	-1709.220341
Energy at 298.15K	-1709.223163
HF Energy	-1709.220341
Nuclear repulsion energy	415.497032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3012	2970	0.79
2	A₁	1324	1306	19.86
3	A₁	725	715	53.70
4	A₁	378	372	19.63
5	A₁	193	190	16.71
6	A₂	150	148	0.00
7	E	3122	3079	0.05
7	E	3122	3079	0.05
8	E	1448	1428	9.08
8	E	1448	1428	9.08
9	E	886	874	81.47
9	E	886	874	81.46
10	E	509	502	120.14
10	E	509	502	120.15
11	E	188	185	3.55
11	E	188	185	3.55
12	E	129	127	1.18
12	E	129	127	1.18

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.285
C2	0.000	0.000	2.177
Cl3	0.000	2.037	-0.484
Cl4	1.764	-1.019	-0.484
Cl5	-1.764	-1.019	-0.484
H6	0.000	-1.038	2.544
H7	0.899	0.519	2.544
H8	-0.899	0.519	2.544

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8917	2.1774	2.1774	2.1774	2.4865	2.4865	2.4865
C2	1.8917		3.3509	3.3509	3.3509	1.1014	1.1014	1.1014
Cl3	2.1774	3.3509		3.5285	3.5285	4.3160	3.5047	3.5047
Cl4	2.1774	3.3509	3.5285		3.5285	3.5047	3.5047	4.3160
Cl5	2.1774	3.3509	3.5285	3.5285		3.5047	4.3160	3.5047
H6	2.4865	1.1014	4.3160	3.5047	3.5047		1.7982	1.7982
H7	2.4865	1.1014	3.5047	3.5047	4.3160	1.7982		1.7982
H8	2.4865	1.1014	3.5047	4.3160	3.5047	1.7982	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.505	Si1	C2	H7	109.505
Si1	C2	H8	109.505	C2	Si1	Cl3	110.677
C2	Si1	Cl4	110.677	C2	Si1	Cl5	110.677
Cl3	Si1	Cl4	108.239	Cl3	Si1	Cl5	108.239
Cl4	Si1	Cl5	108.239	H6	C2	H7	109.437
H6	C2	H8	109.437	H7	C2	H8	109.437

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	0.657
2	C	-0.737
3	Cl	-0.206
4	Cl	-0.206
5	Cl	-0.206
6	H	0.232
7	H	0.232
8	H	0.232

<r²>	313.271
(<r²>)^1/2	17.699

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)