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	hartrees
Energy at 0K	-1701.461826
Energy at 298.15K	-1701.465043
HF Energy	-1701.461826
Nuclear repulsion energy	426.206202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2260	2167	30.53
2	A₁	912	875	177.98
3	A₁	882	845	58.13
4	A₁	401	384	13.21
5	A₁	268	256	9.60
6	A₂	171	164	0.00
7	E	2284	2190	56.13
7	E	2284	2190	56.34
8	E	930	892	52.12
8	E	930	892	52.06
9	E	728	698	27.19
9	E	727	697	26.85
10	E	606	581	94.62
10	E	606	581	94.63
11	E	254	243	0.33
11	E	254	243	0.34
12	E	169	162	0.00
12	E	169	162	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.906
C2	0.000	0.000	-0.016
H3	0.000	-1.420	2.323
H4	1.229	0.710	2.323
H5	-1.229	0.710	2.323
Cl6	0.000	1.738	-0.658
Cl7	1.505	-0.869	-0.658
Cl8	-1.505	-0.869	-0.658

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9214	1.4795	1.4795	1.4795	3.0974	3.0974	3.0974
C2	1.9214		2.7354	2.7354	2.7354	1.8531	1.8531	1.8531
H3	1.4795	2.7354		2.4587	2.4587	4.3422	3.3841	3.3841
H4	1.4795	2.7354	2.4587		2.4587	3.3841	3.3841	4.3422
H5	1.4795	2.7354	2.4587	2.4587		3.3841	4.3422	3.3841
Cl6	3.0974	1.8531	4.3422	3.3841	3.3841		3.0107	3.0107
Cl7	3.0974	1.8531	3.3841	3.3841	4.3422	3.0107		3.0107
Cl8	3.0974	1.8531	3.3841	4.3422	3.3841	3.0107	3.0107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.279	Si1	C2	Cl7	110.279
Si1	C2	Cl8	110.279	C2	Si1	H3	106.365
C2	Si1	H4	106.365	C2	Si1	H5	106.365
H3	Si1	H4	112.391	H3	Si1	H5	112.391
H4	Si1	H5	112.391	Cl6	C2	Cl7	108.652
Cl6	C2	Cl8	108.652	Cl7	C2	Cl8	108.652

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

using model chemistry: M06-2X/3-21G

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	0.731
2	C	-0.889
3	H	-0.065
4	H	-0.065
5	H	-0.065
6	Cl	0.118
7	Cl	0.118
8	Cl	0.118

	x	y	z
x	9.355	0.000	0.000
y	0.000	9.358	-0.001
z	0.000	-0.001	7.332

<r²>	286.342
(<r²>)^1/2	16.922

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

using model chemistry: M06-2X/3-21G

States and conformations

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