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	hartrees
Energy at 0K	-1710.134106
Energy at 298.15K	-1710.137382
HF Energy	-1710.134106
Nuclear repulsion energy	434.912963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2246	2173	45.81
2	A₁	924	893	217.98
3	A₁	862	834	31.41
4	A₁	416	403	8.13
5	A₁	277	268	8.99
6	A₂	185	179	0.00
7	E	2267	2193	72.98
7	E	2267	2193	72.97
8	E	944	913	50.90
8	E	944	913	50.91
9	E	722	698	36.11
9	E	722	698	36.09
10	E	598	579	78.29
10	E	598	579	78.30
11	E	265	257	0.17
11	E	265	257	0.17
12	E	158	153	0.07
12	E	158	153	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.881
C2	0.000	0.000	-0.043
H3	0.000	-1.410	2.323
H4	1.221	0.705	2.323
H5	-1.221	0.705	2.323
Cl6	0.000	1.695	-0.648
Cl7	1.468	-0.848	-0.648
Cl8	-1.468	-0.848	-0.648

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9245	1.4778	1.4778	1.4778	3.0447	3.0447	3.0447
C2	1.9245		2.7547	2.7547	2.7547	1.7997	1.7997	1.7997
H3	1.4778	2.7547		2.4425	2.4425	4.2977	3.3613	3.3613
H4	1.4778	2.7547	2.4425		2.4425	3.3613	3.3613	4.2977
H5	1.4778	2.7547	2.4425	2.4425		3.3613	4.2977	3.3613
Cl6	3.0447	1.7997	4.2977	3.3613	3.3613		2.9361	2.9361
Cl7	3.0447	1.7997	3.3613	3.3613	4.2977	2.9361		2.9361
Cl8	3.0447	1.7997	3.3613	4.2977	3.3613	2.9361	2.9361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.630	Si1	C2	Cl7	109.630
Si1	C2	Cl8	109.630	C2	Si1	H3	107.399
C2	Si1	H4	107.399	C2	Si1	H5	107.399
H3	Si1	H4	111.462	H3	Si1	H5	111.462
H4	Si1	H5	111.462	Cl6	C2	Cl7	109.312
Cl6	C2	Cl8	109.312	Cl7	C2	Cl8	109.312

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

using model chemistry: B3LYP/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	1.097
2	C	0.447
3	H	-0.260
4	H	-0.260
5	H	-0.260
6	Cl	-0.255
7	Cl	-0.255
8	Cl	-0.255

	x	y	z
x	12.714	0.000	0.000
y	0.000	12.714	-0.000
z	0.000	-0.000	12.307

<r²>	276.029
(<r²>)^1/2	16.614

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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