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	hartrees
Energy at 0K	-1709.141535
Energy at 298.15K	-1709.144651
HF Energy	-1709.141535
Nuclear repulsion energy	432.797483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2207	2175	51.43
2	A₁	892	879	145.90
3	A₁	839	827	84.91
4	A₁	413	407	8.28
5	A₁	275	271	9.75
6	A₂	188	185	0.00
7	E	2234	2202	95.82
7	E	2234	2202	95.82
8	E	903	890	50.62
8	E	903	890	50.62
9	E	701	691	63.80
9	E	701	691	63.79
10	E	578	570	85.75
10	E	578	570	85.80
11	E	264	260	0.08
11	E	264	260	0.08
12	E	152	150	0.00
12	E	152	150	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.882
C2	0.000	0.000	-0.051
H3	0.000	-1.425	2.332
H4	1.234	0.712	2.332
H5	-1.234	0.712	2.332
Cl6	0.000	1.707	-0.648
Cl7	1.478	-0.853	-0.648
Cl8	-1.478	-0.853	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9325	1.4942	1.4942	1.4942	3.0513	3.0513	3.0513
C2	1.9325		2.7760	2.7760	2.7760	1.8080	1.8080	1.8080
H3	1.4942	2.7760		2.4679	2.4679	4.3224	3.3746	3.3746
H4	1.4942	2.7760	2.4679		2.4679	3.3746	3.3746	4.3224
H5	1.4942	2.7760	2.4679	2.4679		3.3746	4.3224	3.3746
Cl6	3.0513	1.8080	4.3224	3.3746	3.3746		2.9558	2.9558
Cl7	3.0513	1.8080	3.3746	3.3746	4.3224	2.9558		2.9558
Cl8	3.0513	1.8080	3.3746	4.3224	3.3746	2.9558	2.9558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.281	Si1	C2	Cl7	109.281
Si1	C2	Cl8	109.281	C2	Si1	H3	107.528
C2	Si1	H4	107.528	C2	Si1	H5	107.528
H3	Si1	H4	111.343	H3	Si1	H5	111.343
H4	Si1	H5	111.343	Cl6	C2	Cl7	109.661
Cl6	C2	Cl8	109.661	Cl7	C2	Cl8	109.661

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

using model chemistry: PBEPBE/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	0.333
2	C	-0.477
3	H	-0.011
4	H	-0.011
5	H	-0.011
6	Cl	0.059
7	Cl	0.059
8	Cl	0.059

<r²>	277.876
(<r²>)^1/2	16.670

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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