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	hartrees
Energy at 0K	-1710.083417
Energy at 298.15K	-1710.086796
HF Energy	-1710.083417
Nuclear repulsion energy	437.577985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2263	2160	45.04
2	A₁	930	888	191.41
3	A₁	878	838	79.75
4	A₁	435	415	8.72
5	A₁	284	272	8.69
6	A₂	192	184	0.00
7	E	2282	2178	76.07
7	E	2282	2178	76.07
8	E	942	899	62.24
8	E	942	899	62.24
9	E	759	725	61.35
9	E	759	725	61.35
10	E	613	585	77.26
10	E	613	585	77.28
11	E	279	267	0.08
11	E	279	267	0.08
12	E	161	153	0.00
12	E	161	153	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.868
C2	0.000	0.000	-0.051
H3	0.000	-1.414	2.305
H4	1.225	0.707	2.305
H5	-1.225	0.707	2.305
Cl6	0.000	1.685	-0.642
Cl7	1.460	-0.843	-0.642
Cl8	-1.460	-0.843	-0.642

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9192	1.4802	1.4802	1.4802	3.0233	3.0233	3.0233
C2	1.9192		2.7481	2.7481	2.7481	1.7859	1.7859	1.7859
H3	1.4802	2.7481		2.4494	2.4494	4.2770	3.3380	3.3380
H4	1.4802	2.7481	2.4494		2.4494	3.3380	3.3380	4.2770
H5	1.4802	2.7481	2.4494	2.4494		3.3380	4.2770	3.3380
Cl6	3.0233	1.7859	4.2770	3.3380	3.3380		2.9192	2.9192
Cl7	3.0233	1.7859	3.3380	3.3380	4.2770	2.9192		2.9192
Cl8	3.0233	1.7859	3.3380	4.2770	3.3380	2.9192	2.9192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.318	Si1	C2	Cl7	109.318
Si1	C2	Cl8	109.318	C2	Si1	H3	107.175
C2	Si1	H4	107.175	C2	Si1	H5	107.175
H3	Si1	H4	111.666	H3	Si1	H5	111.666
H4	Si1	H5	111.666	Cl6	C2	Cl7	109.624
Cl6	C2	Cl8	109.624	Cl7	C2	Cl8	109.624

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

using model chemistry: mPW1PW91/6-311G*

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	0.547
2	C	-0.604
3	H	-0.030
4	H	-0.030
5	H	-0.030
6	Cl	0.049
7	Cl	0.049
8	Cl	0.049

	x	y	z
x	10.268	0.000	0.000
y	0.000	10.269	-0.000
z	0.000	-0.000	8.962

<r²>	273.201
(<r²>)^1/2	16.529

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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