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	hartrees
Energy at 0K	-1709.310649
Energy at 298.15K	-1709.313986
HF Energy	-1709.310649
Nuclear repulsion energy	439.387633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2249	2152	45.03
2	A₁	930	890	127.38
3	A₁	878	841	109.39
4	A₁	440	421	7.26
5	A₁	281	269	9.35
6	A₂	189	181	0.00
7	E	2270	2172	71.27
7	E	2270	2172	71.28
8	E	935	894	51.52
8	E	935	894	51.52
9	E	772	739	57.72
9	E	772	739	57.72
10	E	610	584	51.88
10	E	610	584	51.88
11	E	271	259	0.00
11	E	271	259	0.00
12	E	153	146	0.07
12	E	153	146	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.861
C2	0.000	0.000	-0.051
H3	0.000	-1.414	2.304
H4	1.225	0.707	2.304
H5	-1.225	0.707	2.304
Cl6	0.000	1.677	-0.640
Cl7	1.452	-0.838	-0.640
Cl8	-1.452	-0.838	-0.640

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9124	1.4822	1.4822	1.4822	3.0116	3.0116	3.0116
C2	1.9124		2.7477	2.7477	2.7477	1.7774	1.7774	1.7774
H3	1.4822	2.7477		2.4497	2.4497	4.2694	3.3336	3.3336
H4	1.4822	2.7477	2.4497		2.4497	3.3336	3.3336	4.2694
H5	1.4822	2.7477	2.4497	2.4497		3.3336	4.2694	3.3336
Cl6	3.0116	1.7774	4.2694	3.3336	3.3336		2.9045	2.9045
Cl7	3.0116	1.7774	3.3336	3.3336	4.2694	2.9045		2.9045
Cl8	3.0116	1.7774	3.3336	4.2694	3.3336	2.9045	2.9045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.355	Si1	C2	Cl7	109.355
Si1	C2	Cl8	109.355	C2	Si1	H3	107.403
C2	Si1	H4	107.403	C2	Si1	H5	107.403
H3	Si1	H4	111.458	H3	Si1	H5	111.458
H4	Si1	H5	111.458	Cl6	C2	Cl7	109.587
Cl6	C2	Cl8	109.587	Cl7	C2	Cl8	109.587

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.005
2	C	0.026
3	H	0.051
4	H	0.051
5	H	0.051
6	Cl	-0.061
7	Cl	-0.061
8	Cl	-0.061

<r²>	270.445
(<r²>)^1/2	16.445

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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