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	hartrees
Energy at 0K	-1707.321548
Energy at 298.15K	-1707.324984
HF Energy	-1707.321548
Nuclear repulsion energy	438.356852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	2863	0.48
2	A₁	1421	1285	20.56
3	A₁	787	712	68.75
4	A₁	467	422	22.23
5	A₁	247	223	12.91
6	A₂	182	164	0.00
7	E	3245	2935	3.91
7	E	3245	2935	3.91
8	E	1566	1417	3.15
8	E	1566	1417	3.15
9	E	886	802	74.74
9	E	886	802	74.74
10	E	596	540	168.87
10	E	596	540	168.87
11	E	233	211	4.19
11	E	233	211	4.19
12	E	164	148	0.54
12	E	164	148	0.54

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.259
C2	0.000	0.000	2.110
Cl3	0.000	1.916	-0.465
Cl4	1.660	-0.958	-0.465
Cl5	-1.660	-0.958	-0.465
H6	0.000	-1.017	2.482
H7	0.881	0.509	2.482
H8	-0.881	0.509	2.482

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8508	2.0486	2.0486	2.0486	2.4446	2.4446	2.4446
C2	1.8508		3.2100	3.2100	3.2100	1.0831	1.0831	1.0831
Cl3	2.0486	3.2100		3.3190	3.3190	4.1584	3.3830	3.3830
Cl4	2.0486	3.2100	3.3190		3.3190	3.3830	3.3830	4.1584
Cl5	2.0486	3.2100	3.3190	3.3190		3.3830	4.1584	3.3830
H6	2.4446	1.0831	4.1584	3.3830	3.3830		1.7619	1.7619
H7	2.4446	1.0831	3.3830	3.3830	4.1584	1.7619		1.7619
H8	2.4446	1.0831	3.3830	4.1584	3.3830	1.7619	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.091	Si1	C2	H7	110.091
Si1	C2	H8	110.091	C2	Si1	Cl3	110.711
C2	Si1	Cl4	110.711	C2	Si1	Cl5	110.711
Cl3	Si1	Cl4	108.203	Cl3	Si1	Cl5	108.203
Cl4	Si1	Cl5	108.203	H6	C2	H7	108.844
H6	C2	H8	108.844	H7	C2	H8	108.844

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: HF/daug-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	2.407
2	C	-1.577
3	Cl	-0.753
4	Cl	-0.753
5	Cl	-0.753
6	H	0.476
7	H	0.476
8	H	0.476

<r²>	283.876
(<r²>)^1/2	16.849

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)