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	hartrees
Energy at 0K	-1710.172399
Energy at 298.15K	-1710.175592
HF Energy	-1710.172399
Nuclear repulsion energy	434.827235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2943	0.15
2	A₁	1314	1267	21.91
3	A₁	745	718	72.92
4	A₁	435	419	22.48
5	A₁	230	221	13.54
6	A₂	171	165	0.00
7	E	3142	3029	0.87
7	E	3142	3029	0.87
8	E	1458	1406	4.88
8	E	1458	1406	4.88
9	E	837	807	82.63
9	E	837	807	82.63
10	E	566	545	161.78
10	E	566	545	161.80
11	E	217	209	3.69
11	E	217	209	3.70
12	E	153	148	0.71
12	E	153	148	0.71

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.258
C2	0.000	0.000	2.116
Cl3	0.000	1.935	-0.466
Cl4	1.676	-0.967	-0.466
Cl5	-1.676	-0.967	-0.466
H6	0.000	-1.027	2.493
H7	0.890	0.514	2.493
H8	-0.890	0.514	2.493

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8585	2.0659	2.0659	2.0659	2.4603	2.4603	2.4603
C2	1.8585		3.2269	3.2269	3.2269	1.0943	1.0943	1.0943
Cl3	2.0659	3.2269		3.3514	3.3514	4.1872	3.4015	3.4015
Cl4	2.0659	3.2269	3.3514		3.3514	3.4015	3.4015	4.1872
Cl5	2.0659	3.2269	3.3514	3.3514		3.4015	4.1872	3.4015
H6	2.4603	1.0943	4.1872	3.4015	3.4015		1.7793	1.7793
H7	2.4603	1.0943	3.4015	3.4015	4.1872	1.7793		1.7793
H8	2.4603	1.0943	3.4015	4.1872	3.4015	1.7793	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.156	Si1	C2	H7	110.156
Si1	C2	H8	110.156	C2	Si1	Cl3	110.511
C2	Si1	Cl4	110.511	C2	Si1	Cl5	110.511
Cl3	Si1	Cl4	108.411	Cl3	Si1	Cl5	108.411
Cl4	Si1	Cl5	108.411	H6	C2	H7	108.778
H6	C2	H8	108.778	H7	C2	H8	108.778

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/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	0.432
2	C	-0.623
3	Cl	-0.128
4	Cl	-0.128
5	Cl	-0.128
6	H	0.191
7	H	0.191
8	H	0.191

	x	y	z
x	10.420	0.000	0.000
y	0.000	10.420	-0.000
z	0.000	-0.000	9.506

<r²>	288.189
(<r²>)^1/2	16.976

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)