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	hartrees
Energy at 0K	-1708.081285
Energy at 298.15K	-1708.084587
HF Energy	-1707.185977
Nuclear repulsion energy	441.310812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	2929	2.28
2	A₁	1312	1233	25.35
3	A₁	786	739	71.69
4	A₁	467	439	18.38
5	A₁	235	221	10.98
6	A₂	171	161	0.00
7	E	3226	3032	0.03
7	E	3226	3032	0.03
8	E	1480	1391	2.65
8	E	1480	1391	2.65
9	E	820	771	97.17
9	E	820	771	97.17
10	E	607	571	138.66
10	E	607	571	138.66
11	E	218	205	3.17
11	E	218	205	3.17
12	E	155	146	0.59
12	E	155	146	0.59

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.255
C2	0.000	0.000	2.092
Cl3	0.000	1.903	-0.461
Cl4	1.648	-0.952	-0.461
Cl5	-1.648	-0.952	-0.461
H6	0.000	-1.022	2.468
H7	0.885	0.511	2.468
H8	-0.885	0.511	2.468

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8366	2.0339	2.0339	2.0339	2.4376	2.4376	2.4376
C2	1.8366		3.1846	3.1846	3.1846	1.0892	1.0892	1.0892
Cl3	2.0339	3.1846		3.2969	3.2969	4.1402	3.3622	3.3622
Cl4	2.0339	3.1846	3.2969		3.2969	3.3622	3.3622	4.1402
Cl5	2.0339	3.1846	3.2969	3.2969		3.3622	4.1402	3.3622
H6	2.4376	1.0892	4.1402	3.3622	3.3622		1.7703	1.7703
H7	2.4376	1.0892	3.3622	3.3622	4.1402	1.7703		1.7703
H8	2.4376	1.0892	3.3622	4.1402	3.3622	1.7703	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.215	Si1	C2	H7	110.215
Si1	C2	H8	110.215	C2	Si1	Cl3	110.629
C2	Si1	Cl4	110.629	C2	Si1	Cl5	110.629
Cl3	Si1	Cl4	108.290	Cl3	Si1	Cl5	108.290
Cl4	Si1	Cl5	108.290	H6	C2	H7	108.718
H6	C2	H8	108.718	H7	C2	H8	108.718

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)