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	hartrees
Energy at 0K	-1701.634976
Energy at 298.15K	-1701.637970
HF Energy	-1701.634976
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2171	2134	44.35
2	A₁	874	860	163.77
3	A₁	836	821	75.60
4	A₁	368	361	15.05
5	A₁	260	255	8.92
6	A₂	197	194	0.00
7	E	2203	2165	80.56
7	E	2203	2165	80.58
8	E	898	883	50.65
8	E	898	883	50.64
9	E	665	654	28.48
9	E	665	654	28.44
10	E	556	547	131.77
10	E	556	547	131.75
11	E	243	239	0.01
11	E	243	239	0.01
12	E	158	156	0.00
12	E	158	156	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.934
C2	0.000	0.000	-0.011
H3	0.000	-1.433	2.366
H4	1.241	0.717	2.366
H5	-1.241	0.717	2.366
Cl6	0.000	1.772	-0.669
Cl7	1.535	-0.886	-0.669
Cl8	-1.535	-0.886	-0.669

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9457	1.4970	1.4970	1.4970	3.1492	3.1492	3.1492
C2	1.9457		2.7761	2.7761	2.7761	1.8901	1.8901	1.8901
H3	1.4970	2.7761		2.4827	2.4827	4.4143	3.4447	3.4447
H4	1.4970	2.7761	2.4827		2.4827	3.4447	3.4447	4.4143
H5	1.4970	2.7761	2.4827	2.4827		3.4447	4.4143	3.4447
Cl6	3.1492	1.8901	4.4143	3.4447	3.4447		3.0693	3.0693
Cl7	3.1492	1.8901	3.4447	3.4447	4.4143	3.0693		3.0693
Cl8	3.1492	1.8901	3.4447	4.4143	3.4447	3.0693	3.0693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.160	Si1	C2	Cl7	109.160
Si1	C2	Cl8	109.160	C2	Si1	H3	107.129
C2	Si1	H4	107.129	C2	Si1	H5	107.129
H3	Si1	H4	111.708	H3	Si1	H5	111.708
H4	Si1	H5	111.708	Cl6	C2	Cl7	109.781
Cl6	C2	Cl8	109.781	Cl7	C2	Cl8	109.781

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

using model chemistry: B97D3/3-21G

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	0.729
2	C	-0.801
3	H	-0.073
4	H	-0.073
5	H	-0.073
6	Cl	0.097
7	Cl	0.097
8	Cl	0.097

	x	y	z
x	9.863	0.000	0.000
y	0.000	9.864	-0.000
z	0.000	-0.000	8.055

<r²>	295.137
(<r²>)^1/2	17.180

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

using model chemistry: B97D3/3-21G

States and conformations

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