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	hartrees
Energy at 0K	-1710.023059
Energy at 298.15K	-1710.026196
HF Energy	-1710.023059
Nuclear repulsion energy	433.906647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2949	0.01
2	A₁	1265	1221	16.64
3	A₁	753	726	77.98
4	A₁	439	423	21.58
5	A₁	225	217	11.70
6	A₂	151	146	0.00
7	E	3164	3053	0.02
7	E	3164	3053	0.02
8	E	1416	1366	3.22
8	E	1416	1366	3.22
9	E	813	784	86.58
9	E	813	784	86.58
10	E	572	552	147.56
10	E	572	552	147.57
11	E	212	204	2.74
11	E	212	204	2.74
12	E	150	145	0.70
12	E	150	145	0.70

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.268
C2	0.000	0.000	2.125
Cl3	0.000	1.936	-0.470
Cl4	1.677	-0.968	-0.470
Cl5	-1.677	-0.968	-0.470
H6	0.000	-1.035	2.497
H7	0.897	0.518	2.497
H8	-0.897	0.518	2.497

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8571	2.0723	2.0723	2.0723	2.4585	2.4585	2.4585
C2	1.8571		3.2379	3.2379	3.2379	1.1005	1.1005	1.1005
Cl3	2.0723	3.2379		3.3539	3.3539	4.2000	3.4095	3.4095
Cl4	2.0723	3.2379	3.3539		3.3539	3.4095	3.4095	4.2000
Cl5	2.0723	3.2379	3.3539	3.3539		3.4095	4.2000	3.4095
H6	2.4585	1.1005	4.2000	3.4095	3.4095		1.7935	1.7935
H7	2.4585	1.1005	3.4095	3.4095	4.2000	1.7935		1.7935
H8	2.4585	1.1005	3.4095	4.2000	3.4095	1.7935	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.796	Si1	C2	H7	109.796
Si1	C2	H8	109.796	C2	Si1	Cl3	110.865
C2	Si1	Cl4	110.865	C2	Si1	Cl5	110.865
Cl3	Si1	Cl4	108.043	Cl3	Si1	Cl5	108.043
Cl4	Si1	Cl5	108.043	H6	C2	H7	109.144
H6	C2	H8	109.144	H7	C2	H8	109.144

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3PW91/cc-pVDZ

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	0.555
2	C	-0.240
3	Cl	-0.197
4	Cl	-0.197
5	Cl	-0.197
6	H	0.092
7	H	0.092
8	H	0.092

<r²>	288.106
(<r²>)^1/2	16.974

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)