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	hartrees
Energy at 0K	-1709.409416
Energy at 298.15K	-1709.412784
HF Energy	-1709.174122
Nuclear repulsion energy	433.741439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2257	2257	42.89
2	A₁	925	925	201.23
3	A₁	873	873	46.82
4	A₁	423	423	8.09
5	A₁	281	281	8.99
6	A₂	197	197	0.00
7	E	2279	2279	69.25
7	E	2279	2279	69.25
8	E	949	949	52.25
8	E	949	949	52.24
9	E	745	745	44.10
9	E	745	745	44.06
10	E	606	606	65.93
10	E	606	606	65.96
11	E	271	271	0.07
11	E	271	271	0.07
12	E	163	163	0.07
12	E	163	163	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.891
C2	0.000	0.000	-0.043
H3	0.000	-1.420	2.325
H4	1.230	0.710	2.325
H5	-1.230	0.710	2.325
Cl6	0.000	1.698	-0.651
Cl7	1.470	-0.849	-0.651
Cl8	-1.470	-0.849	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9340	1.4847	1.4847	1.4847	3.0570	3.0570	3.0570
C2	1.9340		2.7608	2.7608	2.7608	1.8034	1.8034	1.8034
H3	1.4847	2.7608		2.4593	2.4593	4.3100	3.3681	3.3681
H4	1.4847	2.7608	2.4593		2.4593	3.3681	3.3681	4.3100
H5	1.4847	2.7608	2.4593	2.4593		3.3681	4.3100	3.3681
Cl6	3.0570	1.8034	4.3100	3.3681	3.3681		2.9406	2.9406
Cl7	3.0570	1.8034	3.3681	3.3681	4.3100	2.9406		2.9406
Cl8	3.0570	1.8034	3.3681	4.3100	3.3681	2.9406	2.9406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.711	Si1	C2	Cl7	109.711
Si1	C2	Cl8	109.711	C2	Si1	H3	106.987
C2	Si1	H4	106.987	C2	Si1	H5	106.987
H3	Si1	H4	111.837	H3	Si1	H5	111.837
H4	Si1	H5	111.837	Cl6	C2	Cl7	109.231
Cl6	C2	Cl8	109.231	Cl7	C2	Cl8	109.231

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

using model chemistry: B2PLYP/aug-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	-0.228
2	C	-0.749
3	H	0.270
4	H	0.270
5	H	0.270
6	Cl	0.055
7	Cl	0.055
8	Cl	0.055

	x	y	z
x	12.451	0.000	0.000
y	0.000	12.452	-0.000
z	0.000	-0.000	12.057

<r²>	277.576
(<r²>)^1/2	16.661

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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