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	hartrees
Energy at 0K	-1710.392084
Energy at 298.15K	-1710.395339
HF Energy	-1710.392084
Nuclear repulsion energy	437.877002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2944	0.08
2	A₁	1301	1245	28.94
3	A₁	765	732	77.58
4	A₁	449	429	22.96
5	A₁	231	221	12.81
6	A₂	178	171	0.00
7	E	3172	3035	0.34
7	E	3172	3035	0.34
8	E	1452	1389	5.26
8	E	1452	1389	5.26
9	E	826	791	85.46
9	E	826	791	85.51
10	E	582	556	157.62
10	E	582	556	157.59
11	E	216	206	3.31
11	E	216	206	3.31
12	E	154	147	0.56
12	E	154	147	0.56

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.261
C2	0.000	0.000	2.107
Cl3	0.000	1.919	-0.465
Cl4	1.662	-0.960	-0.465
Cl5	-1.662	-0.960	-0.465
H6	0.000	-1.023	2.479
H7	0.886	0.512	2.479
H8	-0.886	0.512	2.479

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8462	2.0520	2.0520	2.0520	2.4424	2.4424	2.4424
C2	1.8462		3.2097	3.2097	3.2097	1.0884	1.0884	1.0884
Cl3	2.0520	3.2097		3.3239	3.3239	4.1624	3.3817	3.3817
Cl4	2.0520	3.2097	3.3239		3.3239	3.3817	3.3817	4.1624
Cl5	2.0520	3.2097	3.3239	3.3239		3.3817	4.1624	3.3817
H6	2.4424	1.0884	4.1624	3.3817	3.3817		1.7719	1.7719
H7	2.4424	1.0884	3.3817	3.3817	4.1624	1.7719		1.7719
H8	2.4424	1.0884	3.3817	4.1624	3.3817	1.7719	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.963	Si1	C2	H7	109.963
Si1	C2	H8	109.963	C2	Si1	Cl3	110.738
C2	Si1	Cl4	110.738	C2	Si1	Cl5	110.738
Cl3	Si1	Cl4	108.175	Cl3	Si1	Cl5	108.175
Cl4	Si1	Cl5	108.175	H6	C2	H7	108.975
H6	C2	H8	108.975	H7	C2	H8	108.975

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B1B95/TZVP

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	0.571
2	C	-0.507
3	Cl	-0.181
4	Cl	-0.181
5	Cl	-0.181
6	H	0.159
7	H	0.159
8	H	0.159

	x	y	z
x	9.608	0.000	0.000
y	0.000	9.611	0.001
z	0.000	0.001	8.746

<r²>	283.901
(<r²>)^1/2	16.849

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)