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	hartrees
Energy at 0K	-1709.398665
Energy at 298.15K	-1709.402044
HF Energy	-1709.102326
Nuclear repulsion energy	437.724797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2287	2287	44.08
2	A₁	947	947	209.19
3	A₁	890	890	52.44
4	A₁	431	431	7.74
5	A₁	283	283	9.35
6	A₂	193	193	0.00
7	E	2306	2306	73.56
7	E	2306	2306	73.56
8	E	963	963	54.52
8	E	963	963	54.52
9	E	762	762	47.92
9	E	762	762	47.92
10	E	618	618	61.77
10	E	618	618	61.76
11	E	271	271	0.01
11	E	271	271	0.01
12	E	159	159	0.06
12	E	159	159	0.06

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.868
C2	0.000	0.000	-0.045
H3	0.000	-1.406	2.308
H4	1.218	0.703	2.308
H5	-1.218	0.703	2.308
Cl6	0.000	1.684	-0.643
Cl7	1.459	-0.842	-0.643
Cl8	-1.459	-0.842	-0.643

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9124	1.4733	1.4733	1.4733	3.0237	3.0237	3.0237
C2	1.9124		2.7410	2.7410	2.7410	1.7876	1.7876	1.7876
H3	1.4733	2.7410		2.4351	2.4351	4.2735	3.3404	3.3404
H4	1.4733	2.7410	2.4351		2.4351	3.3404	3.3404	4.2735
H5	1.4733	2.7410	2.4351	2.4351		3.3404	4.2735	3.3404
Cl6	3.0237	1.7876	4.2735	3.3404	3.3404		2.9175	2.9175
Cl7	3.0237	1.7876	3.3404	3.3404	4.2735	2.9175		2.9175
Cl8	3.0237	1.7876	3.3404	4.2735	3.3404	2.9175	2.9175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.567	Si1	C2	Cl7	109.567
Si1	C2	Cl8	109.567	C2	Si1	H3	107.400
C2	Si1	H4	107.400	C2	Si1	H5	107.400
H3	Si1	H4	111.461	H3	Si1	H5	111.461
H4	Si1	H5	111.461	Cl6	C2	Cl7	109.375
Cl6	C2	Cl8	109.375	Cl7	C2	Cl8	109.375

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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