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	hartrees
Energy at 0K	-1709.447630
Energy at 298.15K	-1709.450731
HF Energy	-1709.447630
Nuclear repulsion energy	432.915958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2954	0.06
2	A₁	1253	1239	24.28
3	A₁	735	727	72.39
4	A₁	425	420	21.49
5	A₁	222	219	10.96
6	A₂	169	167	0.00
7	E	3080	3045	0.36
7	E	3080	3045	0.36
8	E	1404	1388	5.08
8	E	1404	1388	5.08
9	E	807	798	78.22
9	E	807	798	78.20
10	E	554	547	146.51
10	E	554	547	146.54
11	E	209	206	2.42
11	E	209	206	2.42
12	E	148	147	0.57
12	E	148	147	0.57

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.263
C2	0.000	0.000	2.127
Cl3	0.000	1.943	-0.470
Cl4	1.682	-0.971	-0.470
Cl5	-1.682	-0.971	-0.470
H6	0.000	-1.033	2.502
H7	0.895	0.517	2.502
H8	-0.895	0.517	2.502

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8646	2.0760	2.0760	2.0760	2.4658	2.4658	2.4658
C2	1.8646		3.2431	3.2431	3.2431	1.0988	1.0988	1.0988
Cl3	2.0760	3.2431		3.3646	3.3646	4.2051	3.4151	3.4151
Cl4	2.0760	3.2431	3.3646		3.3646	3.4151	3.4151	4.2051
Cl5	2.0760	3.2431	3.3646	3.3646		3.4151	4.2051	3.4151
H6	2.4658	1.0988	4.2051	3.4151	3.4151		1.7893	1.7893
H7	2.4658	1.0988	3.4151	3.4151	4.2051	1.7893		1.7893
H8	2.4658	1.0988	3.4151	4.2051	3.4151	1.7893	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.918	Si1	C2	H7	109.918
Si1	C2	H8	109.918	C2	Si1	Cl3	110.657
C2	Si1	Cl4	110.657	C2	Si1	Cl5	110.657
Cl3	Si1	Cl4	108.260	Cl3	Si1	Cl5	108.260
Cl4	Si1	Cl5	108.260	H6	C2	H7	109.021
H6	C2	H8	109.021	H7	C2	H8	109.021

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/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	0.523
2	C	-0.506
3	Cl	-0.167
4	Cl	-0.167
5	Cl	-0.167
6	H	0.162
7	H	0.162
8	H	0.162

<r²>	289.836
(<r²>)^1/2	17.025

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)