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	hartrees
Energy at 0K	-1710.081314
Energy at 298.15K	-1710.084596
HF Energy	-1710.081314
Nuclear repulsion energy	432.780031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2244	2167	45.26
2	A₁	925	893	224.04
3	A₁	864	834	40.09
4	A₁	414	400	9.57
5	A₁	277	268	10.18
6	A₂	187	181	0.00
7	E	2266	2187	78.56
7	E	2266	2187	78.55
8	E	946	913	56.43
8	E	946	913	56.44
9	E	725	700	42.74
9	E	725	700	42.73
10	E	599	578	91.01
10	E	599	578	91.02
11	E	267	258	0.11
11	E	267	258	0.11
12	E	159	154	0.02
12	E	159	154	0.02

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.887
C2	0.000	0.000	-0.044
H3	0.000	-1.415	2.327
H4	1.225	0.707	2.327
H5	-1.225	0.707	2.327
Cl6	0.000	1.705	-0.650
Cl7	1.477	-0.853	-0.650
Cl8	-1.477	-0.853	-0.650

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9315	1.4813	1.4813	1.4813	3.0570	3.0570	3.0570
C2	1.9315		2.7610	2.7610	2.7610	1.8098	1.8098	1.8098
H3	1.4813	2.7610		2.4500	2.4500	4.3122	3.3701	3.3701
H4	1.4813	2.7610	2.4500		2.4500	3.3701	3.3701	4.3122
H5	1.4813	2.7610	2.4500	2.4500		3.3701	4.3122	3.3701
Cl6	3.0570	1.8098	4.3122	3.3701	3.3701		2.9539	2.9539
Cl7	3.0570	1.8098	3.3701	3.3701	4.3122	2.9539		2.9539
Cl8	3.0570	1.8098	3.3701	4.3122	3.3701	2.9539	2.9539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.547	Si1	C2	Cl7	109.547
Si1	C2	Cl8	109.547	C2	Si1	H3	107.267
C2	Si1	H4	107.267	C2	Si1	H5	107.267
H3	Si1	H4	111.583	H3	Si1	H5	111.583
H4	Si1	H5	111.583	Cl6	C2	Cl7	109.396
Cl6	C2	Cl8	109.396	Cl7	C2	Cl8	109.396

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

using model chemistry: B3LYP/TZVP

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	0.504
2	C	-0.193
3	H	-0.075
4	H	-0.075
5	H	-0.075
6	Cl	-0.028
7	Cl	-0.028
8	Cl	-0.028

<r²>	278.335
(<r²>)^1/2	16.683

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

using model chemistry: B3LYP/TZVP

States and conformations

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