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	hartrees
Energy at 0K	-1709.305952
Energy at 298.15K	-1709.309046
HF Energy	-1709.305952
Nuclear repulsion energy	434.592589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2177	2153	42.56
2	A₁	881	871	133.37
3	A₁	832	823	77.60
4	A₁	411	407	7.50
5	A₁	269	266	8.34
6	A₂	179	177	0.00
7	E	2203	2178	63.11
7	E	2203	2178	63.13
8	E	898	888	43.40
8	E	898	888	43.41
9	E	693	686	48.21
9	E	693	686	48.20
10	E	574	567	70.41
10	E	574	567	70.42
11	E	256	253	0.19
11	E	256	253	0.19
12	E	147	145	0.05
12	E	147	145	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.879
C2	0.000	0.000	-0.048
H3	0.000	-1.424	2.325
H4	1.233	0.712	2.325
H5	-1.233	0.712	2.325
Cl6	0.000	1.697	-0.647
Cl7	1.470	-0.849	-0.647
Cl8	-1.470	-0.849	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9270	1.4924	1.4924	1.4924	3.0426	3.0426	3.0426
C2	1.9270		2.7678	2.7678	2.7678	1.7995	1.7995	1.7995
H3	1.4924	2.7678		2.4665	2.4665	4.3096	3.3649	3.3649
H4	1.4924	2.7678	2.4665		2.4665	3.3649	3.3649	4.3096
H5	1.4924	2.7678	2.4665	2.4665		3.3649	4.3096	3.3649
Cl6	3.0426	1.7995	4.3096	3.3649	3.3649		2.9395	2.9395
Cl7	3.0426	1.7995	3.3649	3.3649	4.3096	2.9395		2.9395
Cl8	3.0426	1.7995	3.3649	4.3096	3.3649	2.9395	2.9395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.422	Si1	C2	Cl7	109.422
Si1	C2	Cl8	109.422	C2	Si1	H3	107.406
C2	Si1	H4	107.406	C2	Si1	H5	107.406
H3	Si1	H4	111.456	H3	Si1	H5	111.456
H4	Si1	H5	111.456	Cl6	C2	Cl7	109.521
Cl6	C2	Cl8	109.521	Cl7	C2	Cl8	109.521

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	0.726
2	C	0.455
3	H	-0.159
4	H	-0.159
5	H	-0.159
6	Cl	-0.234
7	Cl	-0.234
8	Cl	-0.234

<r²>	276.184
(<r²>)^1/2	16.619

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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