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	hartrees
Energy at 0K	-1709.263805
Energy at 298.15K	-1709.266964
HF Energy	-1709.263805
Nuclear repulsion energy	433.106559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2186	2166	41.43
2	A₁	886	878	161.36
3	A₁	836	828	69.09
4	A₁	411	407	9.23
5	A₁	275	272	8.31
6	A₂	185	183	0.00
7	E	2212	2192	64.67
7	E	2212	2192	64.68
8	E	903	895	49.71
8	E	903	895	49.71
9	E	695	688	58.27
9	E	695	688	58.24
10	E	575	570	96.96
10	E	575	570	97.01
11	E	266	264	0.41
11	E	266	264	0.42
12	E	154	153	0.00
12	E	154	153	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.883
C2	0.000	0.000	-0.049
H3	0.000	-1.426	2.324
H4	1.235	0.713	2.324
H5	-1.235	0.713	2.324
Cl6	0.000	1.705	-0.648
Cl7	1.476	-0.852	-0.648
Cl8	-1.476	-0.852	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9314	1.4926	1.4926	1.4926	3.0509	3.0509	3.0509
C2	1.9314		2.7679	2.7679	2.7679	1.8069	1.8069	1.8069
H3	1.4926	2.7679		2.4699	2.4699	4.3162	3.3670	3.3670
H4	1.4926	2.7679	2.4699		2.4699	3.3670	3.3670	4.3162
H5	1.4926	2.7679	2.4699	2.4699		3.3670	4.3162	3.3670
Cl6	3.0509	1.8069	4.3162	3.3670	3.3670		2.9528	2.9528
Cl7	3.0509	1.8069	3.3670	3.3670	4.3162	2.9528		2.9528
Cl8	3.0509	1.8069	3.3670	4.3162	3.3670	2.9528	2.9528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.355	Si1	C2	Cl7	109.355
Si1	C2	Cl8	109.355	C2	Si1	H3	107.185
C2	Si1	H4	107.185	C2	Si1	H5	107.185
H3	Si1	H4	111.657	H3	Si1	H5	111.657
H4	Si1	H5	111.657	Cl6	C2	Cl7	109.587
Cl6	C2	Cl8	109.587	Cl7	C2	Cl8	109.587

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

using model chemistry: PBEPBE/6-311G**

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	0.625
2	C	-0.619
3	H	-0.059
4	H	-0.059
5	H	-0.059
6	Cl	0.057
7	Cl	0.057
8	Cl	0.057

	x	y	z
x	10.976	0.000	0.000
y	0.000	10.976	-0.000
z	0.000	-0.000	9.791

<r²>	278.221
(<r²>)^1/2	16.680

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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