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	hartrees
Energy at 0K	-1709.141522
Energy at 298.15K	-1709.144630
HF Energy	-1709.141522
Nuclear repulsion energy	432.815721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2211	2174	51.62
2	A₁	892	877	147.12
3	A₁	839	825	83.64
4	A₁	412	406	8.29
5	A₁	275	270	9.74
6	A₂	184	181	0.00
7	E	2238	2201	95.94
7	E	2238	2201	95.95
8	E	903	888	50.60
8	E	903	888	50.60
9	E	700	689	63.23
9	E	700	689	63.23
10	E	578	569	86.40
10	E	578	569	86.41
11	E	264	259	0.08
11	E	264	259	0.08
12	E	152	150	0.00
12	E	152	150	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.882
C2	0.000	0.000	-0.051
H3	0.000	-1.425	2.331
H4	1.234	0.712	2.331
H5	-1.234	0.712	2.331
Cl6	0.000	1.706	-0.648
Cl7	1.478	-0.853	-0.648
Cl8	-1.478	-0.853	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9325	1.4941	1.4941	1.4941	3.0512	3.0512	3.0512
C2	1.9325		2.7759	2.7759	2.7759	1.8078	1.8078	1.8078
H3	1.4941	2.7759		2.4678	2.4678	4.3221	3.3743	3.3743
H4	1.4941	2.7759	2.4678		2.4678	3.3743	3.3743	4.3221
H5	1.4941	2.7759	2.4678	2.4678		3.3743	4.3221	3.3743
Cl6	3.0512	1.8078	4.3221	3.3743	3.3743		2.9557	2.9557
Cl7	3.0512	1.8078	3.3743	3.3743	4.3221	2.9557		2.9557
Cl8	3.0512	1.8078	3.3743	4.3221	3.3743	2.9557	2.9557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.276	Si1	C2	Cl7	109.276
Si1	C2	Cl8	109.276	C2	Si1	H3	107.522
C2	Si1	H4	107.522	C2	Si1	H5	107.522
H3	Si1	H4	111.348	H3	Si1	H5	111.348
H4	Si1	H5	111.348	Cl6	C2	Cl7	109.666
Cl6	C2	Cl8	109.666	Cl7	C2	Cl8	109.666

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.333
2	C	-0.477
3	H	-0.011
4	H	-0.011
5	H	-0.011
6	Cl	0.059
7	Cl	0.059
8	Cl	0.059

<r²>	277.855
(<r²>)^1/2	16.669

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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