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	hartrees
Energy at 0K	-1710.091196
Energy at 298.15K	-1710.094524
HF Energy	-1710.091196
Nuclear repulsion energy	437.887164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2929	0.05
2	A₁	1326	1262	33.44
3	A₁	769	733	76.13
4	A₁	459	437	22.21
5	A₁	235	224	14.94
6	A₂	192	183	0.00
7	E	3175	3024	0.66
7	E	3175	3024	0.65
8	E	1465	1395	5.95
8	E	1465	1395	5.94
9	E	840	800	91.76
9	E	840	800	91.68
10	E	597	568	160.12
10	E	597	568	160.13
11	E	221	210	4.40
11	E	221	210	4.40
12	E	157	150	0.76
12	E	157	150	0.75

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.253
C2	0.000	0.000	2.104
Cl3	0.000	1.920	-0.463
Cl4	1.663	-0.960	-0.463
Cl5	-1.663	-0.960	-0.463
H6	0.000	-1.027	2.481
H7	0.889	0.513	2.481
H8	-0.889	0.513	2.481

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8507	2.0497	2.0497	2.0497	2.4528	2.4528	2.4528
C2	1.8507		3.2059	3.2059	3.2059	1.0939	1.0939	1.0939
Cl3	2.0497	3.2059		3.3263	3.3263	4.1657	3.3818	3.3818
Cl4	2.0497	3.2059	3.3263		3.3263	3.3818	3.3818	4.1657
Cl5	2.0497	3.2059	3.3263	3.3263		3.3818	4.1657	3.3818
H6	2.4528	1.0939	4.1657	3.3818	3.3818		1.7787	1.7787
H7	2.4528	1.0939	3.3818	3.3818	4.1657	1.7787		1.7787
H8	2.4528	1.0939	3.3818	4.1657	3.3818	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.147	Si1	C2	H7	110.147
Si1	C2	H8	110.147	C2	Si1	Cl3	110.456
C2	Si1	Cl4	110.456	C2	Si1	Cl5	110.456
Cl3	Si1	Cl4	108.469	Cl3	Si1	Cl5	108.469
Cl4	Si1	Cl5	108.469	H6	C2	H7	108.787
H6	C2	H8	108.787	H7	C2	H8	108.787

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: wB97X-D/6-31+G**

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	0.330
2	C	-0.640
3	Cl	-0.101
4	Cl	-0.101
5	Cl	-0.101
6	H	0.204
7	H	0.204
8	H	0.204

	x	y	z
x	9.999	0.000	0.000
y	0.000	10.000	0.002
z	0.000	0.002	9.099

<r²>	284.337
(<r²>)^1/2	16.862

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)