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	hartrees
Energy at 0K	-1710.190735
Energy at 298.15K	-1710.193919
HF Energy	-1710.190735
Nuclear repulsion energy	438.944740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	2918	0.50
2	A₁	1288	1231	24.46
3	A₁	770	736	73.48
4	A₁	452	432	20.62
5	A₁	228	218	11.01
6	A₂	155	148	0.01
7	E	3147	3006	0.01
7	E	3147	3006	0.02
8	E	1449	1384	3.35
8	E	1448	1383	3.30
9	E	811	774	81.38
9	E	811	774	80.99
10	E	579	553	147.85
10	E	579	553	148.08
11	E	211	202	3.42
11	E	211	201	3.42
12	E	150	143	0.49
12	E	150	143	0.47

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.261
C2	0.000	0.000	2.103
Cl3	0.000	1.914	-0.465
Cl4	1.657	-0.957	-0.465
Cl5	-1.657	-0.957	-0.465
H6	0.000	-1.025	2.473
H7	0.888	0.512	2.473
H8	-0.888	0.512	2.473

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8425	2.0467	2.0467	2.0467	2.4378	2.4378	2.4378
C2	1.8425		3.2027	3.2027	3.2027	1.0895	1.0895	1.0895
Cl3	2.0467	3.2027		3.3148	3.3148	4.1551	3.3735	3.3735
Cl4	2.0467	3.2027	3.3148		3.3148	3.3735	3.3735	4.1551
Cl5	2.0467	3.2027	3.3148	3.3148		3.3735	4.1551	3.3735
H6	2.4378	1.0895	4.1551	3.3735	3.3735		1.7752	1.7752
H7	2.4378	1.0895	3.3735	3.3735	4.1551	1.7752		1.7752
H8	2.4378	1.0895	3.3735	4.1551	3.3735	1.7752	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.823	Si1	C2	H7	109.823
Si1	C2	H8	109.823	C2	Si1	Cl3	110.762
C2	Si1	Cl4	110.762	C2	Si1	Cl5	110.762
Cl3	Si1	Cl4	108.150	Cl3	Si1	Cl5	108.150
Cl4	Si1	Cl5	108.150	H6	C2	H7	109.117
H6	C2	H8	109.117	H7	C2	H8	109.117

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: M06-2X/cc-pVTZ

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	0.497
2	C	-0.435
3	Cl	-0.165
4	Cl	-0.165
5	Cl	-0.165
6	H	0.145
7	H	0.145
8	H	0.145

	x	y	z
x	10.449	0.000	0.000
y	0.000	10.474	0.004
z	0.000	0.004	9.611

<r²>	282.643
(<r²>)^1/2	16.812

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)