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	hartrees
Energy at 0K	-1702.264332
Energy at 298.15K	-1702.267617
HF Energy	-1702.264332
Nuclear repulsion energy	437.675481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2926	0.11
2	A₁	1377	1324	36.52
3	A₁	770	740	79.78
4	A₁	448	431	21.08
5	A₁	234	225	14.26
6	A₂	161	155	0.00
7	E	3119	3001	1.04
7	E	3119	3001	1.04
8	E	1514	1456	5.64
8	E	1514	1456	5.64
9	E	873	840	100.86
9	E	873	840	100.85
10	E	589	566	153.19
10	E	589	566	153.17
11	E	221	212	3.68
11	E	221	212	3.68
12	E	160	154	0.80
12	E	160	154	0.80

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.250
C2	0.000	0.000	2.106
Cl3	0.000	1.921	-0.463
Cl4	1.664	-0.961	-0.463
Cl5	-1.664	-0.961	-0.463
H6	0.000	-1.028	2.488
H7	0.890	0.514	2.488
H8	-0.890	0.514	2.488

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8560	2.0493	2.0493	2.0493	2.4625	2.4625	2.4625
C2	1.8560		3.2082	3.2082	3.2082	1.0967	1.0967	1.0967
Cl3	2.0493	3.2082		3.3275	3.3275	4.1721	3.3883	3.3883
Cl4	2.0493	3.2082	3.3275		3.3275	3.3883	3.3883	4.1721
Cl5	2.0493	3.2082	3.3275	3.3275		3.3883	4.1721	3.3883
H6	2.4625	1.0967	4.1721	3.3883	3.3883		1.7808	1.7808
H7	2.4625	1.0967	3.3883	3.3883	4.1721	1.7808		1.7808
H8	2.4625	1.0967	3.3883	4.1721	3.3883	1.7808	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.361	Si1	C2	H7	110.361
Si1	C2	H8	110.361	C2	Si1	Cl3	110.370
C2	Si1	Cl4	110.370	C2	Si1	Cl5	110.370
Cl3	Si1	Cl4	108.557	Cl3	Si1	Cl5	108.557
Cl4	Si1	Cl5	108.557	H6	C2	H7	108.567
H6	C2	H8	108.567	H7	C2	H8	108.567

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/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	0.945
2	C	-0.855
3	Cl	-0.260
4	Cl	-0.260
5	Cl	-0.260
6	H	0.230
7	H	0.230
8	H	0.230

<r²>	284.635
(<r²>)^1/2	16.871

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)