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	hartrees
Energy at 0K	-55.988611
Energy at 298.15K	-55.991652
HF Energy	-55.988611
Nuclear repulsion energy	83.383516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2164	2096	37.29
2	A₁	867	840	194.07
3	A₁	830	803	25.45
4	A₁	383	371	13.63
5	A₁	267	258	10.71
6	A₂	163	158	0.00
7	E	2207	2137	100.86
7	E	2207	2137	100.85
8	E	896	867	56.87
8	E	896	867	56.87
9	E	693	671	46.45
9	E	693	671	46.48
10	E	572	554	108.60
10	E	572	554	108.64
11	E	257	249	0.00
11	E	257	249	0.00
12	E	163	158	0.00
12	E	163	158	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.944
C2	0.000	0.000	-0.023
H3	0.000	-1.435	2.377
H4	1.243	0.718	2.377
H5	-1.243	0.718	2.377
Cl6	0.000	1.772	-0.671
Cl7	1.534	-0.886	-0.671
Cl8	-1.534	-0.886	-0.671

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9665	1.4994	1.4994	1.4994	3.1583	3.1583	3.1583
C2	1.9665		2.7962	2.7962	2.7962	1.8864	1.8864	1.8864
H3	1.4994	2.7962		2.4862	2.4862	4.4242	3.4562	3.4562
H4	1.4994	2.7962	2.4862		2.4862	3.4562	3.4562	4.4242
H5	1.4994	2.7962	2.4862	2.4862		3.4562	4.4242	3.4562
Cl6	3.1583	1.8864	4.4242	3.4562	3.4562		3.0683	3.0683
Cl7	3.1583	1.8864	3.4562	3.4562	4.4242	3.0683		3.0683
Cl8	3.1583	1.8864	3.4562	4.4242	3.4562	3.0683	3.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.097	Si1	C2	Cl7	110.097
Si1	C2	Cl8	110.097	C2	Si1	H3	106.793
C2	Si1	H4	106.793	C2	Si1	H5	106.793
H3	Si1	H4	112.012	H3	Si1	H5	112.012
H4	Si1	H5	112.012	Cl6	C2	Cl7	108.838
Cl6	C2	Cl8	108.838	Cl7	C2	Cl8	108.838

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

using model chemistry: B3LYP/CEP-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	0.457
2	C	-0.521
3	H	-0.031
4	H	-0.031
5	H	-0.031
6	Cl	0.053
7	Cl	0.053
8	Cl	0.053

<r²>	148.579
(<r²>)^1/2	12.189

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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