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	hartrees
Energy at 0K	-1690.760872
Energy at 298.15K	-1690.763886
HF Energy	-1690.760872
Nuclear repulsion energy	430.565164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	2975	12.63
2	A₁	1507	1330	2.97
3	A₁	849	749	50.37
4	A₁	473	417	16.36
5	A₁	227	200	31.59
6	A₂	119	105	0.00
7	E	3549	3131	6.61
7	E	3549	3131	6.61
8	E	1664	1468	3.88
8	E	1664	1468	3.88
9	E	991	875	79.75
9	E	991	875	79.75
10	E	650	574	92.09
10	E	650	574	92.09
11	E	218	192	8.64
11	E	218	192	8.64
12	E	154	136	2.26
12	E	154	136	2.26

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.264
C2	0.000	0.000	2.125
Cl3	0.000	1.957	-0.470
Cl4	1.695	-0.979	-0.470
Cl5	-1.695	-0.979	-0.470
H6	0.000	-1.028	2.502
H7	0.890	0.514	2.502
H8	-0.890	0.514	2.502

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8607	2.0905	2.0905	2.0905	2.4629	2.4629	2.4629
C2	1.8607		3.2503	3.2503	3.2503	1.0952	1.0952	1.0952
Cl3	2.0905	3.2503		3.3903	3.3903	4.2127	3.4220	3.4220
Cl4	2.0905	3.2503	3.3903		3.3903	3.4220	3.4220	4.2127
Cl5	2.0905	3.2503	3.3903	3.3903		3.4220	4.2127	3.4220
H6	2.4629	1.0952	4.2127	3.4220	3.4220		1.7808	1.7808
H7	2.4629	1.0952	3.4220	3.4220	4.2127	1.7808		1.7808
H8	2.4629	1.0952	3.4220	4.2127	3.4220	1.7808	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.153	Si1	C2	H7	110.153
Si1	C2	H8	110.153	C2	Si1	Cl3	110.559
C2	Si1	Cl4	110.559	C2	Si1	Cl5	110.559
Cl3	Si1	Cl4	108.362	Cl3	Si1	Cl5	108.362
Cl4	Si1	Cl5	108.362	H6	C2	H7	108.781
H6	C2	H8	108.781	H7	C2	H8	108.781

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/STO-3G

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	0.920
2	C	-0.396
3	Cl	-0.285
4	Cl	-0.285
5	Cl	-0.285
6	H	0.110
7	H	0.110
8	H	0.110

<r²>	291.746
(<r²>)^1/2	17.081

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)