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	hartrees
Energy at 0K	-1709.286901
Energy at 298.15K	-1709.290250
HF Energy	-1709.286901
Nuclear repulsion energy	437.464341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2284	2171	53.61
2	A₁	930	883	153.22
3	A₁	878	835	106.51
4	A₁	438	417	7.54
5	A₁	286	271	10.16
6	A₂	191	182	0.00
7	E	2308	2194	105.02
7	E	2308	2194	105.03
8	E	937	891	60.74
8	E	937	891	60.73
9	E	769	730	65.01
9	E	769	730	65.02
10	E	612	581	65.71
10	E	612	581	65.73
11	E	278	264	0.00
11	E	278	264	0.00
12	E	160	152	0.01
12	E	160	152	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.869
C2	0.000	0.000	-0.054
H3	0.000	-1.416	2.310
H4	1.226	0.708	2.310
H5	-1.226	0.708	2.310
Cl6	0.000	1.685	-0.643
Cl7	1.459	-0.843	-0.643
Cl8	-1.459	-0.843	-0.643

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9232	1.4831	1.4831	1.4831	3.0248	3.0248	3.0248
C2	1.9232		2.7559	2.7559	2.7559	1.7850	1.7850	1.7850
H3	1.4831	2.7559		2.4526	2.4526	4.2822	3.3435	3.3435
H4	1.4831	2.7559	2.4526		2.4526	3.3435	3.3435	4.2822
H5	1.4831	2.7559	2.4526	2.4526		3.3435	4.2822	3.3435
Cl6	3.0248	1.7850	4.2822	3.3435	3.3435		2.9187	2.9187
Cl7	3.0248	1.7850	3.3435	3.3435	4.2822	2.9187		2.9187
Cl8	3.0248	1.7850	3.3435	4.2822	3.3435	2.9187	2.9187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.258	Si1	C2	Cl7	109.258
Si1	C2	Cl8	109.258	C2	Si1	H3	107.301
C2	Si1	H4	107.301	C2	Si1	H5	107.301
H3	Si1	H4	111.551	H3	Si1	H5	111.551
H4	Si1	H5	111.551	Cl6	C2	Cl7	109.683
Cl6	C2	Cl8	109.683	Cl7	C2	Cl8	109.683

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

using model chemistry: PBE1PBE/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	0.428
2	C	-0.511
3	H	-0.032
4	H	-0.032
5	H	-0.032
6	Cl	0.059
7	Cl	0.059
8	Cl	0.059

<r²>	272.835
(<r²>)^1/2	16.518

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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