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	hartrees
Energy at 0K	-1710.240682
Energy at 298.15K	-1710.243789
HF Energy	-1710.240682
Nuclear repulsion energy	431.969622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3043	2952	0.04
2	A₁	1274	1235	12.25
3	A₁	742	720	75.92
4	A₁	430	417	21.66
5	A₁	223	216	11.61
6	A₂	149	145	0.00
7	E	3139	3045	0.42
7	E	3139	3045	0.42
8	E	1420	1377	2.62
8	E	1420	1377	2.62
9	E	818	794	80.10
9	E	818	794	80.11
10	E	561	545	148.96
10	E	561	545	148.95
11	E	211	205	2.85
11	E	211	205	2.85
12	E	149	145	0.67
12	E	149	145	0.67

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.267
C2	0.000	0.000	2.130
Cl3	0.000	1.947	-0.471
Cl4	1.686	-0.973	-0.471
Cl5	-1.686	-0.973	-0.471
H6	0.000	-1.036	2.504
H7	0.897	0.518	2.504
H8	-0.897	0.518	2.504

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8624	2.0822	2.0822	2.0822	2.4645	2.4645	2.4645
C2	1.8624		3.2488	3.2488	3.2488	1.1012	1.1012	1.1012
Cl3	2.0822	3.2488		3.3721	3.3721	4.2124	3.4198	3.4198
Cl4	2.0822	3.2488	3.3721		3.3721	3.4198	3.4198	4.2124
Cl5	2.0822	3.2488	3.3721	3.3721		3.4198	4.2124	3.4198
H6	2.4645	1.1012	4.2124	3.4198	3.4198		1.7939	1.7939
H7	2.4645	1.1012	3.4198	3.4198	4.2124	1.7939		1.7939
H8	2.4645	1.1012	3.4198	4.2124	3.4198	1.7939	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.849	Si1	C2	H7	109.849
Si1	C2	H8	109.849	C2	Si1	Cl3	110.769
C2	Si1	Cl4	110.769	C2	Si1	Cl5	110.769
Cl3	Si1	Cl4	108.143	Cl3	Si1	Cl5	108.143
Cl4	Si1	Cl5	108.143	H6	C2	H7	109.091
H6	C2	H8	109.091	H7	C2	H8	109.091

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/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	0.548
2	C	-0.161
3	Cl	-0.197
4	Cl	-0.197
5	Cl	-0.197
6	H	0.067
7	H	0.067
8	H	0.067

<r²>	290.629
(<r²>)^1/2	17.048

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)