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	hartrees
Energy at 0K	-1708.049292
Energy at 298.15K	-1708.052589
HF Energy	-1707.186156
Nuclear repulsion energy	438.727305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	2936	0.59
2	A₁	1335	1265	20.79
3	A₁	774	733	71.40
4	A₁	459	435	18.99
5	A₁	236	224	11.43
6	A₂	170	161	0.00
7	E	3198	3029	0.24
7	E	3198	3029	0.24
8	E	1482	1404	2.36
8	E	1482	1404	2.36
9	E	834	790	89.30
9	E	834	790	89.30
10	E	596	565	146.44
10	E	596	565	146.43
11	E	220	209	3.42
11	E	220	209	3.42
12	E	156	148	0.58
12	E	156	148	0.58

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.256
C2	0.000	0.000	2.103
Cl3	0.000	1.915	-0.464
Cl4	1.659	-0.958	-0.464
Cl5	-1.659	-0.958	-0.464
H6	0.000	-1.025	2.479
H7	0.888	0.512	2.479
H8	-0.888	0.512	2.479

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8470	2.0462	2.0462	2.0462	2.4479	2.4479	2.4479
C2	1.8470		3.2029	3.2029	3.2029	1.0917	1.0917	1.0917
Cl3	2.0462	3.2029		3.3174	3.3174	4.1602	3.3791	3.3791
Cl4	2.0462	3.2029	3.3174		3.3174	3.3791	3.3791	4.1602
Cl5	2.0462	3.2029	3.3174	3.3174		3.3791	4.1602	3.3791
H6	2.4479	1.0917	4.1602	3.3791	3.3791		1.7753	1.7753
H7	2.4479	1.0917	3.3791	3.3791	4.1602	1.7753		1.7753
H8	2.4479	1.0917	3.3791	4.1602	3.3791	1.7753	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.144	Si1	C2	H7	110.144
Si1	C2	H8	110.144	C2	Si1	Cl3	110.606
C2	Si1	Cl4	110.606	C2	Si1	Cl5	110.606
Cl3	Si1	Cl4	108.313	Cl3	Si1	Cl5	108.313
Cl4	Si1	Cl5	108.313	H6	C2	H7	108.790
H6	C2	H8	108.790	H7	C2	H8	108.790

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)