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	hartrees
Energy at 0K	-1701.902355
Energy at 298.15K	-1701.905774
HF Energy	-1701.902355
Nuclear repulsion energy	436.160041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2289	2168	39.31
2	A₁	941	891	179.49
3	A₁	898	851	93.27
4	A₁	436	413	9.21
5	A₁	287	271	9.02
6	A₂	198	188	0.01
7	E	2309	2187	65.32
7	E	2309	2187	65.75
8	E	969	918	58.68
8	E	969	918	58.25
9	E	774	733	44.89
9	E	773	732	45.29
10	E	610	578	63.00
10	E	610	578	62.06
11	E	275	260	0.07
11	E	275	260	0.06
12	E	167	158	0.00
12	E	167	158	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.864
C2	0.000	0.000	-0.042
H3	0.000	-1.409	2.289
H4	1.220	0.705	2.289
H5	-1.220	0.705	2.289
Cl6	0.000	1.696	-0.641
Cl7	1.469	-0.848	-0.641
Cl8	-1.469	-0.848	-0.641

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9061	1.4718	1.4718	1.4718	3.0259	3.0259	3.0259
C2	1.9061		2.7240	2.7240	2.7240	1.7990	1.7990	1.7990
H3	1.4718	2.7240		2.4407	2.4407	4.2700	3.3260	3.3260
H4	1.4718	2.7240	2.4407		2.4407	3.3260	3.3260	4.2700
H5	1.4718	2.7240	2.4407	2.4407		3.3260	4.2700	3.3260
Cl6	3.0259	1.7990	4.2700	3.3260	3.3260		2.9379	2.9379
Cl7	3.0259	1.7990	3.3260	3.3260	4.2700	2.9379		2.9379
Cl8	3.0259	1.7990	3.3260	4.2700	3.3260	2.9379	2.9379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.469	Si1	C2	Cl7	109.469
Si1	C2	Cl8	109.469	C2	Si1	H3	106.786
C2	Si1	H4	106.786	C2	Si1	H5	106.786
H3	Si1	H4	112.018	H3	Si1	H5	112.018
H4	Si1	H5	112.018	Cl6	C2	Cl7	109.474
Cl6	C2	Cl8	109.474	Cl7	C2	Cl8	109.474

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

using model chemistry: M06-2X/3-21G*

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	0.502
2	C	-0.613
3	H	-0.018
4	H	-0.018
5	H	-0.018
6	Cl	0.055
7	Cl	0.055
8	Cl	0.055

	x	y	z
x	9.177	0.000	0.000
y	0.000	9.164	0.007
z	0.000	0.007	7.875

<r²>	274.397
(<r²>)^1/2	16.565

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

using model chemistry: M06-2X/3-21G*

States and conformations

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