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	hartrees
Energy at 0K	-1709.433375
Energy at 298.15K	-1709.436342
HF Energy	-1709.433375
Nuclear repulsion energy	419.105830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2957	0.88
2	A₁	1379	1319	27.17
3	A₁	752	720	57.85
4	A₁	395	378	21.27
5	A₁	200	191	20.36
6	A₂	159	152	0.00
7	E	3205	3066	0.32
7	E	3205	3066	0.32
8	E	1491	1426	11.38
8	E	1491	1426	11.39
9	E	918	878	89.50
9	E	918	878	89.51
10	E	531	508	127.56
10	E	531	508	127.53
11	E	195	187	5.21
11	E	195	187	5.22
12	E	134	128	1.28
12	E	134	128	1.28

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.284
C2	0.000	0.000	2.161
Cl3	0.000	2.018	-0.481
Cl4	1.748	-1.009	-0.481
Cl5	-1.748	-1.009	-0.481
H6	0.000	-1.029	2.530
H7	0.891	0.515	2.530
H8	-0.891	0.515	2.530

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8771	2.1583	2.1583	2.1583	2.4702	2.4702	2.4702
C2	1.8771		3.3249	3.3249	3.3249	1.0932	1.0932	1.0932
Cl3	2.1583	3.3249		3.4953	3.4953	4.2839	3.4815	3.4815
Cl4	2.1583	3.3249	3.4953		3.4953	3.4815	3.4815	4.2839
Cl5	2.1583	3.3249	3.4953	3.4953		3.4815	4.2839	3.4815
H6	2.4702	1.0932	4.2839	3.4815	3.4815		1.7828	1.7828
H7	2.4702	1.0932	3.4815	3.4815	4.2839	1.7828		1.7828
H8	2.4702	1.0932	3.4815	4.2839	3.4815	1.7828	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.697	Si1	C2	H7	109.697
Si1	C2	H8	109.697	C2	Si1	Cl3	110.769
C2	Si1	Cl4	110.769	C2	Si1	Cl5	110.769
Cl3	Si1	Cl4	108.142	Cl3	Si1	Cl5	108.142
Cl4	Si1	Cl5	108.142	H6	C2	H7	109.245
H6	C2	H8	109.245	H7	C2	H8	109.245

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: HSEh1PBE/6-31G

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	0.778
2	C	-0.803
3	Cl	-0.236
4	Cl	-0.236
5	Cl	-0.236
6	H	0.244
7	H	0.244
8	H	0.244

<r²>	308.770
(<r²>)^1/2	17.572

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)