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	hartrees
Energy at 0K	-1699.805723
Energy at 298.15K	-1699.809233
HF Energy	-1699.286037
Nuclear repulsion energy	441.072231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	2905	0.06
2	A₁	1450	1355	41.15
3	A₁	804	751	87.77
4	A₁	479	448	22.55
5	A₁	248	232	18.14
6	A₂	180	168	0.00
7	E	3186	2977	1.57
7	E	3186	2977	1.57
8	E	1568	1465	6.11
8	E	1568	1465	6.11
9	E	914	854	104.43
9	E	914	854	104.43
10	E	628	587	168.74
10	E	628	587	168.74
11	E	233	217	5.88
11	E	233	217	5.88
12	E	170	158	0.82
12	E	170	158	0.82

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.247
C2	0.000	0.000	2.098
Cl3	0.000	1.904	-0.460
Cl4	1.649	-0.952	-0.460
Cl5	-1.649	-0.952	-0.460
H6	0.000	-1.024	2.481
H7	0.887	0.512	2.481
H8	-0.887	0.512	2.481

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8512	2.0312	2.0312	2.0312	2.4575	2.4575	2.4575
C2	1.8512		3.1891	3.1891	3.1891	1.0934	1.0934	1.0934
Cl3	2.0312	3.1891		3.2981	3.2981	4.1503	3.3725	3.3725
Cl4	2.0312	3.1891	3.2981		3.2981	3.3725	3.3725	4.1503
Cl5	2.0312	3.1891	3.2981	3.2981		3.3725	4.1503	3.3725
H6	2.4575	1.0934	4.1503	3.3725	3.3725		1.7741	1.7741
H7	2.4575	1.0934	3.3725	3.3725	4.1503	1.7741		1.7741
H8	2.4575	1.0934	3.3725	4.1503	3.3725	1.7741	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.487	Si1	C2	H7	110.487
Si1	C2	H8	110.487	C2	Si1	Cl3	110.370
C2	Si1	Cl4	110.370	C2	Si1	Cl5	110.370
Cl3	Si1	Cl4	108.557	Cl3	Si1	Cl5	108.557
Cl4	Si1	Cl5	108.557	H6	C2	H7	108.436
H6	C2	H8	108.436	H7	C2	H8	108.436

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CISD/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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All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)