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	hartrees
Energy at 0K	-1709.240256
Energy at 298.15K	-1709.243384
HF Energy	-1709.240256
Nuclear repulsion energy	432.389421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2169	2156	41.29
2	A₁	875	870	111.79
3	A₁	829	824	90.16
4	A₁	412	409	7.95
5	A₁	271	269	8.37
6	A₂	186	185	0.00
7	E	2197	2183	60.98
7	E	2197	2183	60.98
8	E	895	890	41.98
8	E	895	890	41.98
9	E	698	694	54.41
9	E	698	694	54.42
10	E	573	569	69.08
10	E	573	569	69.08
11	E	259	258	0.21
11	E	259	258	0.21
12	E	150	149	0.05
12	E	150	149	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.893
C2	0.000	0.000	-0.046
H3	0.000	-1.434	2.336
H4	1.242	0.717	2.336
H5	-1.242	0.717	2.336
Cl6	0.000	1.704	-0.652
Cl7	1.476	-0.852	-0.652
Cl8	-1.476	-0.852	-0.652

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9392	1.5013	1.5013	1.5013	3.0622	3.0622	3.0622
C2	1.9392		2.7807	2.7807	2.7807	1.8081	1.8081	1.8081
H3	1.5013	2.7807		2.4846	2.4846	4.3328	3.3825	3.3825
H4	1.5013	2.7807	2.4846		2.4846	3.3825	3.3825	4.3328
H5	1.5013	2.7807	2.4846	2.4846		3.3825	4.3328	3.3825
Cl6	3.0622	1.8081	4.3328	3.3825	3.3825		2.9510	2.9510
Cl7	3.0622	1.8081	3.3825	3.3825	4.3328	2.9510		2.9510
Cl8	3.0622	1.8081	3.3825	4.3328	3.3825	2.9510	2.9510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.557	Si1	C2	Cl7	109.557
Si1	C2	Cl8	109.557	C2	Si1	H3	107.159
C2	Si1	H4	107.159	C2	Si1	H5	107.159
H3	Si1	H4	111.681	H3	Si1	H5	111.681
H4	Si1	H5	111.681	Cl6	C2	Cl7	109.385
Cl6	C2	Cl8	109.385	Cl7	C2	Cl8	109.385

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

using model chemistry: PBEPBEultrafine/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	-0.628
2	C	-0.686
3	H	0.375
4	H	0.375
5	H	0.375
6	Cl	0.063
7	Cl	0.063
8	Cl	0.063

<r²>	278.729
(<r²>)^1/2	16.695

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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