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	hartrees
Energy at 0K	-1701.656165
Energy at 298.15K	-1701.659481
HF Energy	-1701.656165
Nuclear repulsion energy	439.967145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3058	2935	0.78
2	A₁	1372	1317	50.08
3	A₁	785	754	81.26
4	A₁	459	441	20.91
5	A₁	235	225	14.69
6	A₂	162	156	0.00
7	E	3148	3022	0.21
7	E	3148	3022	0.21
8	E	1507	1446	7.44
8	E	1507	1446	7.44
9	E	869	835	111.03
9	E	869	835	111.01
10	E	603	579	150.93
10	E	603	579	150.93
11	E	220	211	3.81
11	E	220	211	3.81
12	E	160	154	0.79
12	E	160	154	0.79

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.249
C2	0.000	0.000	2.098
Cl3	0.000	1.910	-0.461
Cl4	1.654	-0.955	-0.461
Cl5	-1.654	-0.955	-0.461
H6	0.000	-1.029	2.479
H7	0.891	0.514	2.479
H8	-0.891	0.514	2.479

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8480	2.0379	2.0379	2.0379	2.4552	2.4552	2.4552
C2	1.8480		3.1929	3.1929	3.1929	1.0971	1.0971	1.0971
Cl3	2.0379	3.1929		3.3083	3.3083	4.1568	3.3740	3.3740
Cl4	2.0379	3.1929	3.3083		3.3083	3.3740	3.3740	4.1568
Cl5	2.0379	3.1929	3.3083	3.3083		3.3740	4.1568	3.3740
H6	2.4552	1.0971	4.1568	3.3740	3.3740		1.7819	1.7819
H7	2.4552	1.0971	3.3740	3.3740	4.1568	1.7819		1.7819
H8	2.4552	1.0971	3.3740	4.1568	3.3740	1.7819	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.335	Si1	C2	H7	110.335
Si1	C2	H8	110.335	C2	Si1	Cl3	110.405
C2	Si1	Cl4	110.405	C2	Si1	Cl5	110.405
Cl3	Si1	Cl4	108.521	Cl3	Si1	Cl5	108.521
Cl4	Si1	Cl5	108.521	H6	C2	H7	108.594
H6	C2	H8	108.594	H7	C2	H8	108.594

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: HSEh1PBE/3-21G*

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	0.942
2	C	-0.938
3	Cl	-0.256
4	Cl	-0.256
5	Cl	-0.256
6	H	0.255
7	H	0.255
8	H	0.255

<r²>	281.941
(<r²>)^1/2	16.791

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)