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	hartrees
Energy at 0K	-1700.959391
Energy at 298.15K	-1700.962250
HF Energy	-1700.959391
Nuclear repulsion energy	417.951702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2995	2968	2.18
2	A₁	1326	1314	23.82
3	A₁	749	743	59.25
4	A₁	377	373	20.50
5	A₁	192	190	18.42
6	A₂	148	146	0.00
7	E	3092	3063	0.29
7	E	3092	3063	0.29
8	E	1461	1448	7.73
8	E	1461	1448	7.72
9	E	879	871	83.80
9	E	879	871	83.80
10	E	508	504	117.51
10	E	508	504	117.51
11	E	187	186	4.24
11	E	187	186	4.25
12	E	138	136	1.24
12	E	138	136	1.24

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.278
C2	0.000	0.000	2.162
Cl3	0.000	2.026	-0.480
Cl4	1.754	-1.013	-0.480
Cl5	-1.754	-1.013	-0.480
H6	0.000	-1.040	2.530
H7	0.901	0.520	2.530
H8	-0.901	0.520	2.530

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8841	2.1627	2.1627	2.1627	2.4808	2.4808	2.4808
C2	1.8841		3.3290	3.3290	3.3290	1.1033	1.1033	1.1033
Cl3	2.1627	3.3290		3.5085	3.5085	4.2963	3.4840	3.4840
Cl4	2.1627	3.3290	3.5085		3.5085	3.4840	3.4840	4.2963
Cl5	2.1627	3.3290	3.5085	3.5085		3.4840	4.2963	3.4840
H6	2.4808	1.1033	4.2963	3.4840	3.4840		1.8015	1.8015
H7	2.4808	1.1033	3.4840	3.4840	4.2963	1.8015		1.8015
H8	2.4808	1.1033	3.4840	4.2963	3.4840	1.8015	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.492	Si1	C2	H7	109.492
Si1	C2	H8	109.492	C2	Si1	Cl3	110.510
C2	Si1	Cl4	110.510	C2	Si1	Cl5	110.510
Cl3	Si1	Cl4	108.413	Cl3	Si1	Cl5	108.413
Cl4	Si1	Cl5	108.413	H6	C2	H7	109.450
H6	C2	H8	109.450	H7	C2	H8	109.450

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/3-21G

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	0.965
2	C	-0.970
3	Cl	-0.270
4	Cl	-0.270
5	Cl	-0.270
6	H	0.272
7	H	0.272
8	H	0.272

<r²>	310.360
(<r²>)^1/2	17.617

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)