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	hartrees
Energy at 0K	-1691.211424
Energy at 298.15K	-1691.214719
HF Energy	-1691.211424
Nuclear repulsion energy	430.003090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2728	2728	0.11
2	A₁	1052	1052	112.97
3	A₁	994	994	158.04
4	A₁	473	473	4.68
5	A₁	293	293	13.83
6	A₂	161	161	0.00
7	E	2789	2789	0.23
7	E	2789	2789	0.19
8	E	1092	1092	71.52
8	E	1092	1092	71.35
9	E	951	951	45.70
9	E	951	951	46.00
10	E	704	704	55.78
10	E	704	704	55.78
11	E	274	274	1.14
11	E	274	274	1.13
12	E	173	173	0.21
12	E	173	173	0.21

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.895
C2	0.000	0.000	-0.019
H3	0.000	-1.374	2.304
H4	1.190	0.687	2.304
H5	-1.190	0.687	2.304
Cl6	0.000	1.724	-0.653
Cl7	1.493	-0.862	-0.653
Cl8	-1.493	-0.862	-0.653

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9135	1.4339	1.4339	1.4339	3.0762	3.0762	3.0762
C2	1.9135		2.6987	2.6987	2.6987	1.8367	1.8367	1.8367
H3	1.4339	2.6987		2.3804	2.3804	4.2826	3.3518	3.3518
H4	1.4339	2.6987	2.3804		2.3804	3.3518	3.3518	4.2827
H5	1.4339	2.6987	2.3804	2.3804		3.3518	4.2827	3.3518
Cl6	3.0762	1.8367	4.2826	3.3518	3.3518		2.9854	2.9854
Cl7	3.0762	1.8367	3.3518	3.3518	4.2827	2.9854		2.9854
Cl8	3.0762	1.8367	3.3518	4.2827	3.3518	2.9854	2.9854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.208	Si1	C2	Cl7	110.208
Si1	C2	Cl8	110.208	C2	Si1	H3	106.575
C2	Si1	H4	106.575	C2	Si1	H5	106.575
H3	Si1	H4	112.206	H3	Si1	H5	112.206
H4	Si1	H5	112.206	Cl6	C2	Cl7	108.725
Cl6	C2	Cl8	108.725	Cl7	C2	Cl8	108.725

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

using model chemistry: M06-2X/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	0.651
2	C	-0.053
3	H	-0.096
4	H	-0.096
5	H	-0.096
6	Cl	-0.103
7	Cl	-0.103
8	Cl	-0.103

	x	y	z
x	5.057	0.000	0.000
y	0.000	5.056	0.001
z	0.000	0.001	3.467

<r²>	279.158
(<r²>)^1/2	16.708

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

using model chemistry: M06-2X/STO-3G

States and conformations

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