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	hartrees
Energy at 0K	-1705.640946
Energy at 298.15K	-1705.644024
HF Energy	-1705.640946
Nuclear repulsion energy	441.235726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2946	4.10
2	A₁	1211	1192	33.90
3	A₁	767	755	62.61
4	A₁	448	441	16.88
5	A₁	222	218	8.65
6	A₂	153	151	0.00
7	E	3100	3051	0.44
7	E	3100	3051	0.44
8	E	1365	1343	3.63
8	E	1365	1343	3.63
9	E	773	760	97.21
9	E	773	760	97.20
10	E	582	572	111.21
10	E	582	572	111.25
11	E	205	201	1.56
11	E	205	201	1.56
12	E	145	142	0.68
12	E	145	142	0.68

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.261
C2	0.000	0.000	2.089
Cl3	0.000	1.903	-0.462
Cl4	1.648	-0.952	-0.462
Cl5	-1.648	-0.952	-0.462
H6	0.000	-1.036	2.463
H7	0.897	0.518	2.463
H8	-0.897	0.518	2.463

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8280	2.0357	2.0357	2.0357	2.4341	2.4341	2.4341
C2	1.8280		3.1824	3.1824	3.1824	1.1014	1.1014	1.1014
Cl3	2.0357	3.1824		3.2962	3.2962	4.1467	3.3589	3.3589
Cl4	2.0357	3.1824	3.2962		3.2962	3.3589	3.3589	4.1467
Cl5	2.0357	3.1824	3.2962	3.2962		3.3589	4.1467	3.3589
H6	2.4341	1.1014	4.1467	3.3589	3.3589		1.7938	1.7938
H7	2.4341	1.1014	3.3589	3.3589	4.1467	1.7938		1.7938
H8	2.4341	1.1014	3.3589	4.1467	3.3589	1.7938	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.896	Si1	C2	H7	109.896
Si1	C2	H8	109.896	C2	Si1	Cl3	110.796
C2	Si1	Cl4	110.796	C2	Si1	Cl5	110.796
Cl3	Si1	Cl4	108.115	Cl3	Si1	Cl5	108.115
Cl4	Si1	Cl5	108.115	H6	C2	H7	109.043
H6	C2	H8	109.043	H7	C2	H8	109.043

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: LSDA/6-31G(2df,p)

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	0.332
2	C	-0.539
3	Cl	-0.132
4	Cl	-0.132
5	Cl	-0.132
6	H	0.201
7	H	0.201
8	H	0.201

<r²>	279.123
(<r²>)^1/2	16.707

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)