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	hartrees
Energy at 0K	-1710.052416
Energy at 298.15K	-1710.055699
HF Energy	-1710.052416
Nuclear repulsion energy	432.402886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2221	2154	44.16
2	A₁	917	889	195.10
3	A₁	862	836	52.65
4	A₁	416	403	9.86
5	A₁	278	270	10.28
6	A₂	191	185	0.00
7	E	2244	2176	76.84
7	E	2244	2176	76.84
8	E	938	910	53.24
8	E	938	910	53.24
9	E	728	707	50.34
9	E	728	706	50.34
10	E	597	579	81.14
10	E	597	579	81.16
11	E	267	259	0.12
11	E	267	259	0.12
12	E	161	156	0.04
12	E	161	156	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.893
C2	0.000	0.000	-0.045
H3	0.000	-1.422	2.338
H4	1.231	0.711	2.338
H5	-1.231	0.711	2.338
Cl6	0.000	1.705	-0.652
Cl7	1.476	-0.852	-0.652
Cl8	-1.476	-0.852	-0.652

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9371	1.4899	1.4899	1.4899	3.0625	3.0625	3.0625
C2	1.9371		2.7748	2.7748	2.7748	1.8094	1.8094	1.8094
H3	1.4899	2.7748		2.4623	2.4623	4.3259	3.3829	3.3829
H4	1.4899	2.7748	2.4623		2.4623	3.3829	3.3829	4.3259
H5	1.4899	2.7748	2.4623	2.4623		3.3829	4.3259	3.3829
Cl6	3.0625	1.8094	4.3259	3.3829	3.3829		2.9523	2.9523
Cl7	3.0625	1.8094	3.3829	3.3829	4.3259	2.9523		2.9523
Cl8	3.0625	1.8094	3.3829	4.3259	3.3829	2.9523	2.9523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.609	Si1	C2	Cl7	109.609
Si1	C2	Cl8	109.609	C2	Si1	H3	107.410
C2	Si1	H4	107.410	C2	Si1	H5	107.410
H3	Si1	H4	111.452	H3	Si1	H5	111.452
H4	Si1	H5	111.452	Cl6	C2	Cl7	109.333
Cl6	C2	Cl8	109.333	Cl7	C2	Cl8	109.333

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

using model chemistry: B3LYP/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	0.430
2	C	-0.329
3	H	-0.038
4	H	-0.038
5	H	-0.038
6	Cl	0.004
7	Cl	0.004
8	Cl	0.004

<r²>	278.346
(<r²>)^1/2	16.684

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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