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	hartrees
Energy at 0K	-1709.650961
Energy at 298.15K	-1709.654173
HF Energy	-1709.650961
Nuclear repulsion energy	438.335791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	2941	0.21
2	A₁	1283	1233	24.69
3	A₁	763	733	64.17
4	A₁	448	431	18.21
5	A₁	229	220	9.89
6	A₂	164	157	0.00
7	E	3152	3030	0.24
7	E	3152	3030	0.24
8	E	1440	1385	3.66
8	E	1440	1385	3.66
9	E	817	785	75.06
9	E	817	785	75.06
10	E	578	556	136.69
10	E	578	556	136.68
11	E	215	206	2.56
11	E	215	206	2.56
12	E	151	145	0.53
12	E	151	145	0.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.262
C2	0.000	0.000	2.109
Cl3	0.000	1.916	-0.466
Cl4	1.659	-0.958	-0.466
Cl5	-1.659	-0.958	-0.466
H6	0.000	-1.026	2.480
H7	0.888	0.513	2.480
H8	-0.888	0.513	2.480

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8466	2.0493	2.0493	2.0493	2.4437	2.4437	2.4437
C2	1.8466		3.2090	3.2090	3.2090	1.0909	1.0909	1.0909
Cl3	2.0493	3.2090		3.3181	3.3181	4.1630	3.3816	3.3816
Cl4	2.0493	3.2090	3.3181		3.3181	3.3816	3.3816	4.1630
Cl5	2.0493	3.2090	3.3181	3.3181		3.3816	4.1630	3.3816
H6	2.4437	1.0909	4.1630	3.3816	3.3816		1.7766	1.7766
H7	2.4437	1.0909	3.3816	3.3816	4.1630	1.7766		1.7766
H8	2.4437	1.0909	3.3816	4.1630	3.3816	1.7766	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.905	Si1	C2	H7	109.905
Si1	C2	H8	109.905	C2	Si1	Cl3	110.805
C2	Si1	Cl4	110.805	C2	Si1	Cl5	110.805
Cl3	Si1	Cl4	108.105	Cl3	Si1	Cl5	108.105
Cl4	Si1	Cl5	108.105	H6	C2	H7	109.034
H6	C2	H8	109.034	H7	C2	H8	109.034

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	1.117
2	C	-0.723
3	Cl	-0.349
4	Cl	-0.349
5	Cl	-0.349
6	H	0.217
7	H	0.217
8	H	0.217

	x	y	z
x	11.677	0.000	0.000
y	0.000	11.678	-0.000
z	0.000	-0.000	11.090

<r²>	283.182
(<r²>)^1/2	16.828

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)