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	hartrees
Energy at 0K	-1710.057500
Energy at 298.15K	-1710.060725
HF Energy	-1710.057500
Nuclear repulsion energy	435.645992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2947	0.03
2	A₁	1299	1253	26.65
3	A₁	755	728	75.52
4	A₁	440	425	22.97
5	A₁	230	222	12.62
6	A₂	174	167	0.00
7	E	3149	3036	0.37
7	E	3149	3036	0.37
8	E	1447	1396	5.36
8	E	1447	1396	5.36
9	E	829	800	83.04
9	E	829	800	83.04
10	E	571	550	157.19
10	E	571	550	157.19
11	E	216	209	3.07
11	E	216	209	3.07
12	E	154	148	0.61
12	E	154	148	0.61

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.262
C2	0.000	0.000	2.117
Cl3	0.000	1.929	-0.468
Cl4	1.671	-0.965	-0.468
Cl5	-1.671	-0.965	-0.468
H6	0.000	-1.026	2.490
H7	0.888	0.513	2.490
H8	-0.888	0.513	2.490

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8545	2.0629	2.0629	2.0629	2.4526	2.4526	2.4526
C2	1.8545		3.2251	3.2251	3.2251	1.0916	1.0916	1.0916
Cl3	2.0629	3.2251		3.3419	3.3419	4.1810	3.3976	3.3976
Cl4	2.0629	3.2251	3.3419		3.3419	3.3976	3.3976	4.1810
Cl5	2.0629	3.2251	3.3419	3.3419		3.3976	4.1810	3.3976
H6	2.4526	1.0916	4.1810	3.3976	3.3976		1.7766	1.7766
H7	2.4526	1.0916	3.3976	3.3976	4.1810	1.7766		1.7766
H8	2.4526	1.0916	3.3976	4.1810	3.3976	1.7766	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.998	Si1	C2	H7	109.998
Si1	C2	H8	109.998	C2	Si1	Cl3	110.720
C2	Si1	Cl4	110.720	C2	Si1	Cl5	110.720
Cl3	Si1	Cl4	108.194	Cl3	Si1	Cl5	108.194
Cl4	Si1	Cl5	108.194	H6	C2	H7	108.939
H6	C2	H8	108.939	H7	C2	H8	108.939

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3PW91/TZVP

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	0.604
2	C	-0.517
3	Cl	-0.191
4	Cl	-0.191
5	Cl	-0.191
6	H	0.162
7	H	0.162
8	H	0.162

<r²>	286.575
(<r²>)^1/2	16.929

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)