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	hartrees
Energy at 0K	-1709.648785
Energy at 298.15K	-1709.652005
HF Energy	-1709.648785
Nuclear repulsion energy	438.395422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3058	2939	0.25
2	A₁	1285	1234	24.51
3	A₁	763	733	70.49
4	A₁	450	433	19.27
5	A₁	230	221	10.35
6	A₂	162	156	0.00
7	E	3153	3030	0.36
7	E	3153	3030	0.36
8	E	1441	1385	3.38
8	E	1441	1385	3.38
9	E	817	785	79.54
9	E	817	785	79.53
10	E	582	559	139.31
10	E	582	559	139.33
11	E	215	207	2.60
11	E	215	207	2.60
12	E	152	146	0.55
12	E	152	146	0.55

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.261
C2	0.000	0.000	2.108
Cl3	0.000	1.916	-0.465
Cl4	1.659	-0.958	-0.465
Cl5	-1.659	-0.958	-0.465
H6	0.000	-1.026	2.480
H7	0.888	0.513	2.480
H8	-0.888	0.513	2.480

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8474	2.0487	2.0487	2.0487	2.4450	2.4450	2.4450
C2	1.8474		3.2081	3.2081	3.2081	1.0911	1.0911	1.0911
Cl3	2.0487	3.2081		3.3181	3.3181	4.1626	3.3811	3.3811
Cl4	2.0487	3.2081	3.3181		3.3182	3.3811	3.3811	4.1626
Cl5	2.0487	3.2081	3.3181	3.3182		3.3811	4.1626	3.3811
H6	2.4450	1.0911	4.1626	3.3811	3.3811		1.7765	1.7765
H7	2.4450	1.0911	3.3811	3.3811	4.1626	1.7765		1.7765
H8	2.4450	1.0911	3.3811	4.1626	3.3811	1.7765	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.934	Si1	C2	H7	109.934
Si1	C2	H8	109.934	C2	Si1	Cl3	110.753
C2	Si1	Cl4	110.753	C2	Si1	Cl5	110.753
Cl3	Si1	Cl4	108.160	Cl3	Si1	Cl5	108.160
Cl4	Si1	Cl5	108.160	H6	C2	H7	109.004
H6	C2	H8	109.004	H7	C2	H8	109.004

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/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	0.583
2	C	-0.383
3	Cl	-0.193
4	Cl	-0.193
5	Cl	-0.193
6	H	0.126
7	H	0.126
8	H	0.126

<r²>	282.975
(<r²>)^1/2	16.822

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)