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	hartrees
Energy at 0K	-1710.065142
Energy at 298.15K	-1710.068378
HF Energy	-1710.065142
Nuclear repulsion energy	433.468320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2249	2187	45.34
2	A₁	919	894	187.55
3	A₁	867	843	64.64
4	A₁	417	406	10.09
5	A₁	274	266	10.68
6	A₂	192	187	0.00
7	E	2272	2210	77.29
7	E	2272	2210	77.29
8	E	944	917	54.86
8	E	944	917	54.84
9	E	726	706	54.84
9	E	726	706	54.81
10	E	596	579	84.23
10	E	595	579	84.28
11	E	262	255	0.08
11	E	262	255	0.08
12	E	150	145	0.01
12	E	149	145	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.888
C2	0.000	0.000	-0.045
H3	0.000	-1.420	2.330
H4	1.230	0.710	2.330
H5	-1.230	0.710	2.330
Cl6	0.000	1.700	-0.650
Cl7	1.473	-0.850	-0.650
Cl8	-1.473	-0.850	-0.650

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9328	1.4872	1.4872	1.4872	3.0549	3.0549	3.0549
C2	1.9328		2.7670	2.7670	2.7670	1.8049	1.8049	1.8049
H3	1.4872	2.7670		2.4595	2.4595	4.3148	3.3726	3.3726
H4	1.4872	2.7670	2.4595		2.4595	3.3726	3.3726	4.3148
H5	1.4872	2.7670	2.4595	2.4595		3.3726	4.3148	3.3726
Cl6	3.0549	1.8049	4.3148	3.3726	3.3726		2.9451	2.9451
Cl7	3.0549	1.8049	3.3726	3.3726	4.3148	2.9451		2.9451
Cl8	3.0549	1.8049	3.3726	4.3148	3.3726	2.9451	2.9451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.592	Si1	C2	Cl7	109.592
Si1	C2	Cl8	109.592	C2	Si1	H3	107.293
C2	Si1	H4	107.293	C2	Si1	H5	107.293
H3	Si1	H4	111.559	H3	Si1	H5	111.559
H4	Si1	H5	111.559	Cl6	C2	Cl7	109.350
Cl6	C2	Cl8	109.350	Cl7	C2	Cl8	109.350

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

using model chemistry: TPSSh/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	0.404
2	C	-0.375
3	H	-0.020
4	H	-0.020
5	H	-0.020
6	Cl	0.010
7	Cl	0.010
8	Cl	0.010

	x	y	z
x	10.127	0.000	0.000
y	0.000	10.127	0.001
z	0.000	0.001	9.145

<r²>	277.036
(<r²>)^1/2	16.644

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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