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	hartrees
Energy at 0K	-1709.395311
Energy at 298.15K	-1709.398659
HF Energy	-1709.395311
Nuclear repulsion energy	436.916624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2243	2153	42.09
2	A₁	923	886	131.13
3	A₁	874	839	113.48
4	A₁	434	416	8.20
5	A₁	281	270	10.26
6	A₂	190	182	0.00
7	E	2266	2175	71.93
7	E	2266	2175	71.92
8	E	935	897	55.51
8	E	935	897	55.51
9	E	762	732	60.76
9	E	762	732	60.76
10	E	608	584	64.08
10	E	608	584	64.10
11	E	272	261	0.00
11	E	272	261	0.00
12	E	156	150	0.03
12	E	156	149	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.870
C2	0.000	0.000	-0.053
H3	0.000	-1.420	2.309
H4	1.230	0.710	2.309
H5	-1.230	0.710	2.309
Cl6	0.000	1.688	-0.643
Cl7	1.462	-0.844	-0.643
Cl8	-1.462	-0.844	-0.643

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9236	1.4861	1.4861	1.4861	3.0275	3.0275	3.0275
C2	1.9236		2.7562	2.7562	2.7562	1.7879	1.7879	1.7879
H3	1.4861	2.7562		2.4593	2.4593	4.2863	3.3441	3.3441
H4	1.4861	2.7562	2.4593		2.4593	3.3441	3.3441	4.2863
H5	1.4861	2.7562	2.4593	2.4593		3.3441	4.2863	3.3441
Cl6	3.0275	1.7879	4.2863	3.3441	3.3441		2.9233	2.9233
Cl7	3.0275	1.7879	3.3441	3.3441	4.2863	2.9233		2.9233
Cl8	3.0275	1.7879	3.3441	4.2863	3.3441	2.9233	2.9233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.263	Si1	C2	Cl7	109.263
Si1	C2	Cl8	109.263	C2	Si1	H3	107.171
C2	Si1	H4	107.171	C2	Si1	H5	107.171
H3	Si1	H4	111.670	H3	Si1	H5	111.670
H4	Si1	H5	111.670	Cl6	C2	Cl7	109.678
Cl6	C2	Cl8	109.678	Cl7	C2	Cl8	109.678

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

using model chemistry: PBE1PBE/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	0.405
2	C	-0.191
3	H	-0.048
4	H	-0.048
5	H	-0.048
6	Cl	-0.024
7	Cl	-0.024
8	Cl	-0.024

<r²>	273.491
(<r²>)^1/2	16.538

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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