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	hartrees
Energy at 0K	-1709.409056
Energy at 298.15K	-1709.412056
HF Energy	-1709.409056
Nuclear repulsion energy	431.167743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2969	0.03
2	A₁	1216	1209	13.17
3	A₁	732	728	74.51
4	A₁	424	422	20.02
5	A₁	217	215	10.15
6	A₂	140	140	0.00
7	E	3092	3074	0.04
7	E	3092	3074	0.04
8	E	1368	1360	2.62
8	E	1368	1360	2.62
9	E	788	783	81.47
9	E	788	783	81.48
10	E	556	553	136.01
10	E	556	553	136.01
11	E	204	203	2.09
11	E	204	203	2.09
12	E	145	144	0.65
12	E	145	144	0.65

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.268
C2	0.000	0.000	2.136
Cl3	0.000	1.950	-0.472
Cl4	1.688	-0.975	-0.472
Cl5	-1.688	-0.975	-0.472
H6	0.000	-1.043	2.510
H7	0.903	0.522	2.510
H8	-0.903	0.522	2.510

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8680	2.0854	2.0854	2.0854	2.4725	2.4725	2.4725
C2	1.8680		3.2563	3.2563	3.2563	1.1080	1.1080	1.1080
Cl3	2.0854	3.2563		3.3769	3.3769	4.2247	3.4275	3.4275
Cl4	2.0854	3.2563	3.3769		3.3769	3.4275	3.4275	4.2247
Cl5	2.0854	3.2563	3.3769	3.3769		3.4275	4.2247	3.4275
H6	2.4725	1.1080	4.2247	3.4275	3.4275		1.8066	1.8066
H7	2.4725	1.1080	3.4275	3.4275	4.2247	1.8066		1.8066
H8	2.4725	1.1080	3.4275	4.2247	3.4275	1.8066	1.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.714	Si1	C2	H7	109.714
Si1	C2	H8	109.714	C2	Si1	Cl3	110.791
C2	Si1	Cl4	110.791	C2	Si1	Cl5	110.791
Cl3	Si1	Cl4	108.120	Cl3	Si1	Cl5	108.120
Cl4	Si1	Cl5	108.120	H6	C2	H7	109.227
H6	C2	H8	109.227	H7	C2	H8	109.227

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/cc-pVDZ

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	0.460
2	C	-0.188
3	Cl	-0.173
4	Cl	-0.173
5	Cl	-0.173
6	H	0.082
7	H	0.082
8	H	0.082

<r²>	291.292
(<r²>)^1/2	17.067

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)