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	hartrees
Energy at 0K	-1710.065821
Energy at 298.15K	-1710.069110
HF Energy	-1710.065821
Nuclear repulsion energy	432.629085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2232	2166	43.41
2	A₁	913	886	196.73
3	A₁	859	833	40.72
4	A₁	416	404	8.59
5	A₁	278	269	9.15
6	A₂	191	185	0.00
7	E	2254	2188	68.59
7	E	2254	2187	68.59
8	E	939	911	49.04
8	E	939	911	49.04
9	E	725	704	42.76
9	E	725	704	42.74
10	E	596	578	76.04
10	E	596	578	76.04
11	E	267	259	0.18
11	E	267	259	0.18
12	E	160	155	0.07
12	E	160	155	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.895
C2	0.000	0.000	-0.041
H3	0.000	-1.421	2.333
H4	1.231	0.711	2.333
H5	-1.231	0.711	2.333
Cl6	0.000	1.702	-0.653
Cl7	1.474	-0.851	-0.653
Cl8	-1.474	-0.851	-0.653

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9367	1.4875	1.4875	1.4875	3.0643	3.0643	3.0643
C2	1.9367		2.7677	2.7677	2.7677	1.8087	1.8087	1.8087
H3	1.4875	2.7677		2.4621	2.4621	4.3214	3.3786	3.3786
H4	1.4875	2.7677	2.4621		2.4621	3.3786	3.3786	4.3214
H5	1.4875	2.7677	2.4621	2.4621		3.3786	4.3214	3.3786
Cl6	3.0643	1.8087	4.3214	3.3786	3.3786		2.9486	2.9486
Cl7	3.0643	1.8087	3.3786	3.3786	4.3214	2.9486		2.9486
Cl8	3.0643	1.8087	3.3786	4.3214	3.3786	2.9486	2.9486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.750	Si1	C2	Cl7	109.750
Si1	C2	Cl8	109.750	C2	Si1	H3	107.129
C2	Si1	H4	107.129	C2	Si1	H5	107.129
H3	Si1	H4	111.709	H3	Si1	H5	111.709
H4	Si1	H5	111.709	Cl6	C2	Cl7	109.191
Cl6	C2	Cl8	109.191	Cl7	C2	Cl8	109.191

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

using model chemistry: B3LYPultrafine/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	-0.635
2	C	-0.652
3	H	0.382
4	H	0.382
5	H	0.382
6	Cl	0.047
7	Cl	0.047
8	Cl	0.047

<r²>	278.661
(<r²>)^1/2	16.693

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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