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	hartrees
Energy at 0K	-1710.178160
Energy at 298.15K	-1710.181412
HF Energy	-1710.178160
Nuclear repulsion energy	437.774542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2931	0.00
2	A₁	1314	1250	29.88
3	A₁	762	725	74.46
4	A₁	449	428	22.07
5	A₁	233	221	14.03
6	A₂	174	166	0.00
7	E	3180	3027	0.24
7	E	3180	3027	0.24
8	E	1457	1387	5.54
8	E	1457	1387	5.54
9	E	834	794	90.67
9	E	834	794	90.66
10	E	584	556	157.34
10	E	584	556	157.37
11	E	218	208	3.78
11	E	218	208	3.78
12	E	155	148	0.71
12	E	155	148	0.71

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.255
C2	0.000	0.000	2.106
Cl3	0.000	1.921	-0.464
Cl4	1.663	-0.960	-0.464
Cl5	-1.663	-0.960	-0.464
H6	0.000	-1.026	2.482
H7	0.888	0.513	2.482
H8	-0.888	0.513	2.482

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8504	2.0507	2.0507	2.0507	2.4518	2.4518	2.4518
C2	1.8504		3.2077	3.2077	3.2077	1.0927	1.0927	1.0927
Cl3	2.0507	3.2077		3.3266	3.3266	4.1663	3.3834	3.3834
Cl4	2.0507	3.2077	3.3266		3.3266	3.3835	3.3835	4.1663
Cl5	2.0507	3.2077	3.3266	3.3266		3.3835	4.1663	3.3835
H6	2.4518	1.0927	4.1663	3.3835	3.3835		1.7768	1.7768
H7	2.4518	1.0927	3.3834	3.3835	4.1663	1.7768		1.7768
H8	2.4518	1.0927	3.3834	4.1663	3.3835	1.7768	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.151	Si1	C2	H7	110.151
Si1	C2	H8	110.151	C2	Si1	Cl3	110.519
C2	Si1	Cl4	110.519	C2	Si1	Cl5	110.519
Cl3	Si1	Cl4	108.403	Cl3	Si1	Cl5	108.403
Cl4	Si1	Cl5	108.403	H6	C2	H7	108.783
H6	C2	H8	108.783	H7	C2	H8	108.783

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31+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	0.273
2	C	-0.650
3	Cl	-0.087
4	Cl	-0.087
5	Cl	-0.087
6	H	0.212
7	H	0.212
8	H	0.212

	x	y	z
x	10.086	0.000	0.000
y	0.000	10.085	0.001
z	0.000	0.001	9.216

<r²>	284.408
(<r²>)^1/2	16.864

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)