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	hartrees
Energy at 0K	-1709.886049
Energy at 298.15K	-1709.889128
HF Energy	-1709.886049
Nuclear repulsion energy	430.489948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2187	2175	44.28
2	A₁	904	899	206.59
3	A₁	832	828	30.35
4	A₁	397	394	9.38
5	A₁	269	267	9.13
6	A₂	185	184	0.00
7	E	2209	2197	72.58
7	E	2209	2197	72.58
8	E	923	918	46.17
8	E	923	918	46.17
9	E	682	678	33.15
9	E	682	678	33.15
10	E	570	567	97.93
10	E	570	567	97.91
11	E	254	253	0.31
11	E	254	253	0.32
12	E	152	151	0.02
12	E	152	151	0.02

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.893
C2	0.000	0.000	-0.038
H3	0.000	-1.416	2.344
H4	1.227	0.708	2.344
H5	-1.227	0.708	2.344
Cl6	0.000	1.716	-0.653
Cl7	1.486	-0.858	-0.653
Cl8	-1.486	-0.858	-0.653

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9311	1.4863	1.4863	1.4863	3.0702	3.0702	3.0702
C2	1.9311		2.7712	2.7712	2.7712	1.8226	1.8226	1.8226
H3	1.4863	2.7712		2.4531	2.4531	4.3349	3.3913	3.3913
H4	1.4863	2.7712	2.4531		2.4532	3.3913	3.3913	4.3348
H5	1.4863	2.7712	2.4531	2.4532		3.3913	4.3348	3.3913
Cl6	3.0702	1.8226	4.3349	3.3913	3.3913		2.9718	2.9718
Cl7	3.0702	1.8226	3.3913	3.3913	4.3348	2.9718		2.9718
Cl8	3.0702	1.8226	3.3913	4.3348	3.3913	2.9718	2.9718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.717	Si1	C2	Cl7	109.717
Si1	C2	Cl8	109.717	C2	Si1	H3	107.657
C2	Si1	H4	107.657	C2	Si1	H5	107.657
H3	Si1	H4	111.223	H3	Si1	H5	111.223
H4	Si1	H5	111.223	Cl6	C2	Cl7	109.225
Cl6	C2	Cl8	109.225	Cl7	C2	Cl8	109.225

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: BLYP/6-31G(2df,p)

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	0.001
2	C	0.163
3	H	0.039
4	H	0.039
5	H	0.039
6	Cl	-0.094
7	Cl	-0.094
8	Cl	-0.094

<r²>	280.402
(<r²>)^1/2	16.745

All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)