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	hartrees
Energy at 0K	-1709.380307
Energy at 298.15K	-1709.383673
HF Energy	-1709.162225
Nuclear repulsion energy	433.858894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2258	2163	43.40
2	A₁	931	892	203.90
3	A₁	879	842	58.60
4	A₁	424	406	9.06
5	A₁	282	270	10.07
6	A₂	194	185	0.00
7	E	2280	2183	77.21
7	E	2280	2183	77.21
8	E	951	910	58.00
8	E	951	910	58.01
9	E	753	721	51.15
9	E	753	721	51.14
10	E	609	583	70.35
10	E	609	583	70.33
11	E	271	260	0.03
11	E	271	260	0.03
12	E	163	156	0.03
12	E	163	156	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.888
C2	0.000	0.000	-0.046
H3	0.000	-1.418	2.331
H4	1.228	0.709	2.331
H5	-1.228	0.709	2.331
Cl6	0.000	1.698	-0.650
Cl7	1.471	-0.849	-0.650
Cl8	-1.471	-0.849	-0.650

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9340	1.4855	1.4855	1.4855	3.0535	3.0535	3.0535
C2	1.9340		2.7682	2.7682	2.7682	1.8023	1.8023	1.8023
H3	1.4855	2.7682		2.4555	2.4555	4.3125	3.3727	3.3727
H4	1.4855	2.7682	2.4555		2.4555	3.3727	3.3727	4.3125
H5	1.4855	2.7682	2.4555	2.4555		3.3727	4.3125	3.3727
Cl6	3.0535	1.8023	4.3125	3.3727	3.3727		2.9413	2.9413
Cl7	3.0535	1.8023	3.3727	3.3727	4.3125	2.9413		2.9413
Cl8	3.0535	1.8023	3.3727	4.3125	3.3727	2.9413	2.9413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.572	Si1	C2	Cl7	109.572
Si1	C2	Cl8	109.572	C2	Si1	H3	107.378
C2	Si1	H4	107.378	C2	Si1	H5	107.378
H3	Si1	H4	111.480	H3	Si1	H5	111.480
H4	Si1	H5	111.480	Cl6	C2	Cl7	109.370
Cl6	C2	Cl8	109.370	Cl7	C2	Cl8	109.370

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

using model chemistry: B2PLYP/cc-pVDZ

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	0.477
2	C	-0.349
3	H	-0.048
4	H	-0.048
5	H	-0.048
6	Cl	0.005
7	Cl	0.005
8	Cl	0.005

<r²>	276.967
(<r²>)^1/2	16.642

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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