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	hartrees
Energy at 0K	-1710.058257
Energy at 298.15K	-1710.061620
HF Energy	-1710.058257
Nuclear repulsion energy	436.209285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2237	2144	43.68
2	A₁	920	881	124.74
3	A₁	873	837	111.29
4	A₁	433	415	8.86
5	A₁	282	271	10.32
6	A₂	195	187	0.00
7	E	2261	2167	73.35
7	E	2261	2167	73.36
8	E	933	894	54.01
8	E	933	894	54.01
9	E	763	731	63.13
9	E	763	731	63.14
10	E	606	581	61.73
10	E	606	581	61.74
11	E	273	262	0.03
11	E	273	262	0.03
12	E	159	152	0.05
12	E	159	152	0.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.879
C2	0.000	0.000	-0.051
H3	0.000	-1.423	2.323
H4	1.232	0.712	2.323
H5	-1.232	0.712	2.323
Cl6	0.000	1.687	-0.647
Cl7	1.461	-0.844	-0.647
Cl8	-1.461	-0.844	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9302	1.4907	1.4907	1.4907	3.0378	3.0378	3.0378
C2	1.9302		2.7678	2.7678	2.7678	1.7895	1.7895	1.7895
H3	1.4907	2.7678		2.4649	2.4649	4.3005	3.3601	3.3601
H4	1.4907	2.7678	2.4649		2.4649	3.3601	3.3601	4.3005
H5	1.4907	2.7678	2.4649	2.4649		3.3601	4.3005	3.3601
Cl6	3.0378	1.7895	4.3005	3.3601	3.3601		2.9227	2.9227
Cl7	3.0378	1.7895	3.3601	3.3601	4.3005	2.9227		2.9227
Cl8	3.0378	1.7895	3.3601	4.3005	3.3601	2.9227	2.9227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.447	Si1	C2	Cl7	109.447
Si1	C2	Cl8	109.447	C2	Si1	H3	107.314
C2	Si1	H4	107.314	C2	Si1	H5	107.314
H3	Si1	H4	111.540	H3	Si1	H5	111.540
H4	Si1	H5	111.540	Cl6	C2	Cl7	109.496
Cl6	C2	Cl8	109.496	Cl7	C2	Cl8	109.496

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

using model chemistry: mPW1PW91/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	0.383
2	C	-0.403
3	H	-0.015
4	H	-0.015
5	H	-0.015
6	Cl	0.022
7	Cl	0.022
8	Cl	0.022

<r²>	274.018
(<r²>)^1/2	16.554

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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