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	hartrees
Energy at 0K	-1709.968874
Energy at 298.15K	-1709.972145
HF Energy	-1709.968874
Nuclear repulsion energy	433.345668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2277	2186	54.50
2	A₁	932	895	234.35
3	A₁	868	833	42.35
4	A₁	419	402	8.81
5	A₁	281	270	10.39
6	A₂	187	180	0.00
7	E	2301	2209	108.25
7	E	2301	2209	108.24
8	E	947	909	60.90
8	E	947	909	60.90
9	E	732	703	49.05
9	E	732	703	49.06
10	E	603	579	90.61
10	E	603	579	90.62
11	E	271	260	0.03
11	E	271	260	0.03
12	E	161	155	0.01
12	E	161	155	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.884
C2	0.000	0.000	-0.045
H3	0.000	-1.412	2.329
H4	1.223	0.706	2.329
H5	-1.223	0.706	2.329
Cl6	0.000	1.703	-0.649
Cl7	1.475	-0.852	-0.649
Cl8	-1.475	-0.852	-0.649

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9298	1.4805	1.4805	1.4805	3.0526	3.0526	3.0526
C2	1.9298		2.7623	2.7623	2.7623	1.8069	1.8069	1.8069
H3	1.4805	2.7623		2.4462	2.4462	4.3095	3.3698	3.3698
H4	1.4805	2.7623	2.4462		2.4462	3.3698	3.3698	4.3095
H5	1.4805	2.7623	2.4462	2.4462		3.3698	4.3095	3.3698
Cl6	3.0526	1.8069	4.3095	3.3698	3.3698		2.9498	2.9498
Cl7	3.0526	1.8069	3.3698	3.3698	4.3095	2.9498		2.9498
Cl8	3.0526	1.8069	3.3698	4.3095	3.3698	2.9498	2.9498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.514	Si1	C2	Cl7	109.514
Si1	C2	Cl8	109.514	C2	Si1	H3	107.458
C2	Si1	H4	107.458	C2	Si1	H5	107.458
H3	Si1	H4	111.408	H3	Si1	H5	111.408
H4	Si1	H5	111.408	Cl6	C2	Cl7	109.428
Cl6	C2	Cl8	109.428	Cl7	C2	Cl8	109.428

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

using model chemistry: B3LYP/6-31G*

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	0.441
2	C	-0.426
3	H	-0.040
4	H	-0.040
5	H	-0.040
6	Cl	0.035
7	Cl	0.035
8	Cl	0.035

<r²>	277.442
(<r²>)^1/2	16.657

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

using model chemistry: B3LYP/6-31G*

States and conformations

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