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	hartrees
Energy at 0K	-1710.140249
Energy at 298.15K	-1710.143458
HF Energy	-1710.140249
Nuclear repulsion energy	435.994293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2260	2189	43.98
2	A₁	929	899	201.88
3	A₁	870	843	49.07
4	A₁	419	406	8.84
5	A₁	271	263	9.90
6	A₂	183	177	0.00
7	E	2281	2209	72.48
7	E	2281	2209	72.50
8	E	948	918	52.10
8	E	948	918	52.10
9	E	723	700	43.10
9	E	723	700	43.04
10	E	599	580	82.08
10	E	599	580	82.09
11	E	258	250	0.05
11	E	258	250	0.05
12	E	144	139	0.03
12	E	144	139	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.874
C2	0.000	0.000	-0.045
H3	0.000	-1.411	2.315
H4	1.222	0.706	2.315
H5	-1.222	0.706	2.315
Cl6	0.000	1.692	-0.645
Cl7	1.465	-0.846	-0.645
Cl8	-1.465	-0.846	-0.645

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9188	1.4782	1.4782	1.4782	3.0349	3.0349	3.0349
C2	1.9188		2.7491	2.7491	2.7491	1.7952	1.7952	1.7952
H3	1.4782	2.7491		2.4440	2.4440	4.2884	3.3510	3.3510
H4	1.4782	2.7491	2.4440		2.4440	3.3510	3.3510	4.2884
H5	1.4782	2.7491	2.4440	2.4440		3.3510	4.2884	3.3510
Cl6	3.0349	1.7952	4.2884	3.3510	3.3510		2.9300	2.9300
Cl7	3.0349	1.7952	3.3510	3.3510	4.2884	2.9300		2.9300
Cl8	3.0349	1.7952	3.3510	4.2884	3.3510	2.9300	2.9300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.557	Si1	C2	Cl7	109.557
Si1	C2	Cl8	109.557	C2	Si1	H3	107.338
C2	Si1	H4	107.338	C2	Si1	H5	107.338
H3	Si1	H4	111.517	H3	Si1	H5	111.517
H4	Si1	H5	111.517	Cl6	C2	Cl7	109.386
Cl6	C2	Cl8	109.386	Cl7	C2	Cl8	109.386

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

using model chemistry: TPSSh/cc-pVTZ

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	0.345
2	C	-0.068
3	H	-0.028
4	H	-0.028
5	H	-0.028
6	Cl	-0.064
7	Cl	-0.064
8	Cl	-0.064

	x	y	z
x	11.279	0.000	0.000
y	0.000	11.278	0.001
z	0.000	0.001	10.641

<r²>	274.324
(<r²>)^1/2	16.563

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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