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	hartrees
Energy at 0K	-56.158949
Energy at 298.15K	-56.161789
HF Energy	-56.158949
Nuclear repulsion energy	77.850470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2959	1.85
2	A₁	1357	1314	24.89
3	A₁	719	696	44.41
4	A₁	374	362	23.13
5	A₁	193	187	18.57
6	A₂	161	156	0.00
7	E	3166	3066	1.58
7	E	3166	3066	1.58
8	E	1456	1410	11.73
8	E	1456	1410	11.73
9	E	908	879	84.29
9	E	908	879	84.28
10	E	498	482	124.76
10	E	498	482	124.77
11	E	190	184	4.14
11	E	190	184	4.14
12	E	131	127	1.39
12	E	131	127	1.39

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.297
C2	0.000	0.000	2.190
Cl3	0.000	2.050	-0.490
Cl4	1.775	-1.025	-0.490
Cl5	-1.775	-1.025	-0.490
H6	0.000	-1.036	2.563
H7	0.897	0.518	2.563
H8	-0.897	0.518	2.563

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8928	2.1959	2.1959	2.1959	2.4916	2.4916	2.4916
C2	1.8928		3.3743	3.3743	3.3743	1.1012	1.1012	1.1012
Cl3	2.1959	3.3743		3.5505	3.5505	4.3412	3.5320	3.5320
Cl4	2.1959	3.3743	3.5505		3.5505	3.5320	3.5320	4.3412
Cl5	2.1959	3.3743	3.5505	3.5505		3.5320	4.3412	3.5320
H6	2.4916	1.1012	4.3412	3.5320	3.5320		1.7945	1.7945
H7	2.4916	1.1012	3.5320	3.5320	4.3412	1.7945		1.7945
H8	2.4916	1.1012	3.5320	4.3412	3.5320	1.7945	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.808	Si1	C2	H7	109.808
Si1	C2	H8	109.808	C2	Si1	Cl3	111.013
C2	Si1	Cl4	111.013	C2	Si1	Cl5	111.013
Cl3	Si1	Cl4	107.887	Cl3	Si1	Cl5	107.887
Cl4	Si1	Cl5	107.887	H6	C2	H7	109.133
H6	C2	H8	109.133	H7	C2	H8	109.133

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/CEP-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	0.411
2	C	-0.566
3	Cl	-0.173
4	Cl	-0.173
5	Cl	-0.173
6	H	0.225
7	H	0.225
8	H	0.225

<r²>	172.037
(<r²>)^1/2	13.116

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)