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	hartrees
Energy at 0K	-1709.449050
Energy at 298.15K	-1709.452420
HF Energy	-1709.184982
Nuclear repulsion energy	434.741168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2279	2175	44.91
2	A₁	940	897	228.03
3	A₁	884	844	49.49
4	A₁	424	404	8.61
5	A₁	281	268	10.02
6	A₂	190	181	0.00
7	E	2300	2195	80.35
7	E	2300	2195	80.34
8	E	958	914	61.04
8	E	958	914	61.03
9	E	754	719	44.98
9	E	754	719	45.03
10	E	615	587	76.55
10	E	615	587	76.51
11	E	272	260	0.02
11	E	272	260	0.02
12	E	160	153	0.02
12	E	160	153	0.02

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.878
C2	0.000	0.000	-0.047
H3	0.000	-1.411	2.314
H4	1.222	0.706	2.314
H5	-1.222	0.706	2.314
Cl6	0.000	1.698	-0.646
Cl7	1.471	-0.849	-0.646
Cl8	-1.471	-0.849	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9250	1.4767	1.4767	1.4767	3.0426	3.0426	3.0426
C2	1.9250		2.7502	2.7502	2.7502	1.8008	1.8008	1.8008
H3	1.4767	2.7502		2.4440	2.4440	4.2930	3.3529	3.3529
H4	1.4767	2.7502	2.4440		2.4440	3.3529	3.3529	4.2930
H5	1.4767	2.7502	2.4440	2.4440		3.3529	4.2930	3.3529
Cl6	3.0426	1.8008	4.2930	3.3529	3.3529		2.9410	2.9410
Cl7	3.0426	1.8008	3.3529	3.3529	4.2930	2.9410		2.9410
Cl8	3.0426	1.8008	3.3529	4.2930	3.3529	2.9410	2.9410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.453	Si1	C2	Cl7	109.453
Si1	C2	Cl8	109.453	C2	Si1	H3	107.157
C2	Si1	H4	107.157	C2	Si1	H5	107.157
H3	Si1	H4	111.683	H3	Si1	H5	111.683
H4	Si1	H5	111.683	Cl6	C2	Cl7	109.489
Cl6	C2	Cl8	109.489	Cl7	C2	Cl8	109.489

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

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

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

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