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	hartrees
Energy at 0K	-1702.380513
Energy at 298.15K	-1702.383856
HF Energy	-1702.380513
Nuclear repulsion energy	441.318101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2928	0.78
2	A₁	1374	1312	48.69
3	A₁	784	749	83.42
4	A₁	464	443	20.64
5	A₁	236	225	14.67
6	A₂	171	164	0.00
7	E	3156	3014	0.30
7	E	3156	3014	0.31
8	E	1510	1442	7.22
8	E	1510	1442	7.22
9	E	868	828	110.82
9	E	868	828	110.75
10	E	609	582	152.56
10	E	609	581	152.53
11	E	219	210	3.99
11	E	219	210	4.00
12	E	160	153	0.70
12	E	160	153	0.70

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.248
C2	0.000	0.000	2.092
Cl3	0.000	1.904	-0.460
Cl4	1.649	-0.952	-0.460
Cl5	-1.649	-0.952	-0.460
H6	0.000	-1.026	2.472
H7	0.889	0.513	2.472
H8	-0.889	0.513	2.472

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8439	2.0313	2.0313	2.0313	2.4492	2.4492	2.4492
C2	1.8439		3.1840	3.1840	3.1840	1.0944	1.0944	1.0944
Cl3	2.0313	3.1840		3.2977	3.2977	4.1452	3.3646	3.3646
Cl4	2.0313	3.1840	3.2977		3.2977	3.3646	3.3646	4.1452
Cl5	2.0313	3.1840	3.2977	3.2977		3.3646	4.1452	3.3646
H6	2.4492	1.0944	4.1452	3.3646	3.3646		1.7776	1.7776
H7	2.4492	1.0944	3.3646	3.3646	4.1452	1.7776		1.7776
H8	2.4492	1.0944	3.3646	4.1452	3.3646	1.7776	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.312	Si1	C2	H7	110.312
Si1	C2	H8	110.312	C2	Si1	Cl3	110.403
C2	Si1	Cl4	110.403	C2	Si1	Cl5	110.403
Cl3	Si1	Cl4	108.524	Cl3	Si1	Cl5	108.524
Cl4	Si1	Cl5	108.524	H6	C2	H7	108.617
H6	C2	H8	108.617	H7	C2	H8	108.617

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B1B95/3-21G*

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	0.908
2	C	-0.917
3	Cl	-0.247
4	Cl	-0.247
5	Cl	-0.247
6	H	0.250
7	H	0.250
8	H	0.250

<r²>	280.263
(<r²>)^1/2	16.741

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)