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	hartrees
Energy at 0K	-1709.449483
Energy at 298.15K	-1709.452626
HF Energy	-1709.449483
Nuclear repulsion energy	434.924759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2984	2957	0.23
2	A₁	1256	1244	26.28
3	A₁	739	733	74.53
4	A₁	427	423	23.04
5	A₁	227	225	12.07
6	A₂	172	170	0.00
7	E	3076	3048	0.21
7	E	3076	3048	0.21
8	E	1399	1387	4.79
8	E	1399	1387	4.78
9	E	808	800	84.57
9	E	808	800	84.55
10	E	553	548	155.29
10	E	553	548	155.32
11	E	213	211	3.05
11	E	213	211	3.05
12	E	152	151	0.48
12	E	152	151	0.47

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.260
C2	0.000	0.000	2.117
Cl3	0.000	1.933	-0.467
Cl4	1.674	-0.967	-0.467
Cl5	-1.674	-0.967	-0.467
H6	0.000	-1.033	2.494
H7	0.895	0.517	2.494
H8	-0.895	0.517	2.494

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8567	2.0657	2.0657	2.0657	2.4606	2.4606	2.4606
C2	1.8567		3.2275	3.2275	3.2275	1.0999	1.0999	1.0999
Cl3	2.0657	3.2275		3.3485	3.3485	4.1914	3.4020	3.4020
Cl4	2.0657	3.2275	3.3485		3.3485	3.4020	3.4020	4.1914
Cl5	2.0657	3.2275	3.3485	3.3485		3.4020	4.1914	3.4020
H6	2.4606	1.0999	4.1914	3.4020	3.4020		1.7900	1.7900
H7	2.4606	1.0999	3.4020	3.4020	4.1914	1.7900		1.7900
H8	2.4606	1.0999	3.4020	4.1914	3.4020	1.7900	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.012	Si1	C2	H7	110.012
Si1	C2	H8	110.012	C2	Si1	Cl3	110.629
C2	Si1	Cl4	110.629	C2	Si1	Cl5	110.629
Cl3	Si1	Cl4	108.290	Cl3	Si1	Cl5	108.290
Cl4	Si1	Cl5	108.290	H6	C2	H7	108.926
H6	C2	H8	108.926	H7	C2	H8	108.925

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/6-311G**

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	0.790
2	C	-0.604
3	Cl	-0.237
4	Cl	-0.237
5	Cl	-0.237
6	H	0.175
7	H	0.175
8	H	0.175

<r²>	288.185
(<r²>)^1/2	16.976

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)