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	hartrees
Energy at 0K	-56.166702
Energy at 298.15K	-56.169586
HF Energy	-56.166702
Nuclear repulsion energy	77.956487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3017	2940	0.43
2	A₁	1363	1328	15.99
3	A₁	718	699	51.35
4	A₁	374	365	21.42
5	A₁	193	188	18.82
6	A₂	161	157	0.00
7	E	3130	3050	0.95
7	E	3130	3050	0.95
8	E	1469	1431	9.59
8	E	1469	1431	9.59
9	E	908	885	79.35
9	E	908	885	79.35
10	E	502	489	126.52
10	E	502	489	126.53
11	E	191	186	4.74
11	E	191	186	4.74
12	E	129	125	1.11
12	E	129	125	1.11

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.295
C2	0.000	0.000	2.188
Cl3	0.000	2.049	-0.489
Cl4	1.774	-1.024	-0.489
Cl5	-1.774	-1.024	-0.489
H6	0.000	-1.031	2.558
H7	0.893	0.515	2.558
H8	-0.893	0.515	2.558

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8930	2.1936	2.1936	2.1936	2.4864	2.4864	2.4864
C2	1.8930		3.3710	3.3710	3.3710	1.0949	1.0949	1.0949
Cl3	2.1936	3.3710		3.5486	3.5486	4.3318	3.5257	3.5257
Cl4	2.1936	3.3710	3.5486		3.5486	3.5257	3.5257	4.3318
Cl5	2.1936	3.3710	3.5486	3.5486		3.5257	4.3318	3.5257
H6	2.4864	1.0949	4.3318	3.5257	3.5257		1.7850	1.7850
H7	2.4864	1.0949	3.5257	3.5257	4.3318	1.7850		1.7850
H8	2.4864	1.0949	3.5257	4.3318	3.5257	1.7850	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.736	Si1	C2	H7	109.736
Si1	C2	H8	109.736	C2	Si1	Cl3	110.938
C2	Si1	Cl4	110.938	C2	Si1	Cl5	110.938
Cl3	Si1	Cl4	107.965	Cl3	Si1	Cl5	107.965
Cl4	Si1	Cl5	107.965	H6	C2	H7	109.205
H6	C2	H8	109.205	H7	C2	H8	109.205

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/CEP-121G

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	0.589
2	C	-0.689
3	Cl	-0.190
4	Cl	-0.190
5	Cl	-0.190
6	H	0.223
7	H	0.223
8	H	0.223

<r²>	171.640
(<r²>)^1/2	13.101

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)