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	hartrees
Energy at 0K	-1701.584022
Energy at 298.15K	-1701.587344
HF Energy	-1701.584022
Nuclear repulsion energy	440.166258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2933	0.84
2	A₁	1372	1316	51.09
3	A₁	787	756	81.70
4	A₁	462	443	20.87
5	A₁	235	226	14.83
6	A₂	161	155	0.00
7	E	3146	3020	0.18
7	E	3146	3020	0.18
8	E	1505	1445	7.52
8	E	1505	1445	7.52
9	E	868	833	112.05
9	E	868	833	112.04
10	E	606	581	150.23
10	E	606	581	150.23
11	E	220	211	3.88
11	E	220	211	3.88
12	E	160	154	0.78
12	E	160	154	0.78

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.249
C2	0.000	0.000	2.097
Cl3	0.000	1.909	-0.461
Cl4	1.653	-0.954	-0.461
Cl5	-1.653	-0.954	-0.461
H6	0.000	-1.029	2.479
H7	0.891	0.515	2.479
H8	-0.891	0.515	2.479

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8482	2.0367	2.0367	2.0367	2.4557	2.4557	2.4557
C2	1.8482		3.1920	3.1920	3.1920	1.0975	1.0975	1.0975
Cl3	2.0367	3.1920		3.3063	3.3063	4.1562	3.3736	3.3736
Cl4	2.0367	3.1920	3.3063		3.3063	3.3736	3.3736	4.1562
Cl5	2.0367	3.1920	3.3063	3.3063		3.3736	4.1562	3.3736
H6	2.4557	1.0975	4.1562	3.3736	3.3736		1.7825	1.7825
H7	2.4557	1.0975	3.3736	3.3736	4.1562	1.7825		1.7825
H8	2.4557	1.0975	3.3736	4.1562	3.3736	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.338	Si1	C2	H7	110.338
Si1	C2	H8	110.338	C2	Si1	Cl3	110.407
C2	Si1	Cl4	110.407	C2	Si1	Cl5	110.407
Cl3	Si1	Cl4	108.519	Cl3	Si1	Cl5	108.519
Cl4	Si1	Cl5	108.519	H6	C2	H7	108.591
H6	C2	H8	108.591	H7	C2	H8	108.591

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	Si	0.947
2	C	-0.946
3	Cl	-0.257
4	Cl	-0.257
5	Cl	-0.257
6	H	0.257
7	H	0.257
8	H	0.257

<r²>	281.721
(<r²>)^1/2	16.785

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)