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	hartrees
Energy at 0K	-1710.049753
Energy at 298.15K	-1710.052731
HF Energy	-1710.049753
Nuclear repulsion energy	419.307233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	2931	0.69
2	A₁	1384	1311	26.88
3	A₁	753	713	58.27
4	A₁	396	375	21.35
5	A₁	201	190	20.67
6	A₂	158	150	0.00
7	E	3210	3038	0.29
7	E	3210	3038	0.29
8	E	1496	1416	11.55
8	E	1496	1416	11.55
9	E	921	872	90.12
9	E	921	872	90.12
10	E	532	504	128.51
10	E	532	504	128.51
11	E	196	186	5.31
11	E	196	186	5.32
12	E	135	128	1.31
12	E	135	128	1.31

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.284
C2	0.000	0.000	2.161
Cl3	0.000	2.017	-0.481
Cl4	1.747	-1.008	-0.481
Cl5	-1.747	-1.008	-0.481
H6	0.000	-1.028	2.530
H7	0.890	0.514	2.530
H8	-0.890	0.514	2.530

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8769	2.1572	2.1572	2.1572	2.4698	2.4698	2.4698
C2	1.8769		3.3242	3.3242	3.3242	1.0921	1.0921	1.0921
Cl3	2.1572	3.3242		3.4931	3.4931	4.2823	3.4812	3.4812
Cl4	2.1572	3.3242	3.4931		3.4931	3.4812	3.4812	4.2823
Cl5	2.1572	3.3242	3.4931	3.4931		3.4812	4.2823	3.4812
H6	2.4698	1.0921	4.2823	3.4812	3.4812		1.7805	1.7805
H7	2.4698	1.0921	3.4812	3.4812	4.2823	1.7805		1.7805
H8	2.4698	1.0921	3.4812	4.2823	3.4812	1.7805	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.733	Si1	C2	H7	109.733
Si1	C2	H8	109.733	C2	Si1	Cl3	110.789
C2	Si1	Cl4	110.789	C2	Si1	Cl5	110.789
Cl3	Si1	Cl4	108.122	Cl3	Si1	Cl5	108.122
Cl4	Si1	Cl5	108.122	H6	C2	H7	109.208
H6	C2	H8	109.208	H7	C2	H8	109.208

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G

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	0.795
2	C	-0.809
3	Cl	-0.240
4	Cl	-0.240
5	Cl	-0.240
6	H	0.245
7	H	0.245
8	H	0.245

<r²>	308.465
(<r²>)^1/2	17.563

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)