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	hartrees
Energy at 0K	-1710.076210
Energy at 298.15K	-1710.079449
HF Energy	-1710.076210
Nuclear repulsion energy	433.767811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2249	2175	43.02
2	A₁	917	887	183.82
3	A₁	865	837	55.09
4	A₁	418	405	8.57
5	A₁	272	264	9.42
6	A₂	194	188	0.00
7	E	2271	2197	67.93
7	E	2271	2197	67.91
8	E	943	913	48.91
8	E	943	913	48.91
9	E	725	701	47.73
9	E	725	701	47.65
10	E	595	576	75.19
10	E	595	576	75.24
11	E	261	253	0.09
11	E	261	253	0.09
12	E	148	143	0.04
12	E	148	143	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.889
C2	0.000	0.000	-0.042
H3	0.000	-1.420	2.326
H4	1.230	0.710	2.326
H5	-1.230	0.710	2.326
Cl6	0.000	1.698	-0.651
Cl7	1.471	-0.849	-0.651
Cl8	-1.471	-0.849	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9313	1.4861	1.4861	1.4861	3.0553	3.0553	3.0553
C2	1.9313		2.7614	2.7614	2.7614	1.8039	1.8039	1.8039
H3	1.4861	2.7614		2.4602	2.4602	4.3111	3.3690	3.3690
H4	1.4861	2.7614	2.4602		2.4602	3.3690	3.3690	4.3111
H5	1.4861	2.7614	2.4602	2.4602		3.3690	4.3111	3.3690
Cl6	3.0553	1.8039	4.3111	3.3690	3.3690		2.9412	2.9412
Cl7	3.0553	1.8039	3.3690	3.3690	4.3111	2.9412		2.9412
Cl8	3.0553	1.8039	3.3690	4.3111	3.3690	2.9412	2.9412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.719	Si1	C2	Cl7	109.719
Si1	C2	Cl8	109.719	C2	Si1	H3	107.094
C2	Si1	H4	107.094	C2	Si1	H5	107.094
H3	Si1	H4	111.740	H3	Si1	H5	111.740
H4	Si1	H5	111.740	Cl6	C2	Cl7	109.222
Cl6	C2	Cl8	109.222	Cl7	C2	Cl8	109.222

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.014
2	C	-0.678
3	H	0.180
4	H	0.180
5	H	0.180
6	Cl	0.041
7	Cl	0.041
8	Cl	0.041

	x	y	z
x	12.560	0.000	0.000
y	0.000	12.559	0.001
z	0.000	0.001	12.189

<r²>	277.009
(<r²>)^1/2	16.644

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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