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	hartrees
Energy at 0K	-1701.364333
Energy at 298.15K	-1701.367686
HF Energy	-1701.172231
Nuclear repulsion energy	433.040889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2341	2341	43.11
2	A₁	956	956	270.70
3	A₁	883	883	19.69
4	A₁	412	412	8.62
5	A₁	283	283	8.95
6	A₂	208	208	0.00
7	E	2362	2362	82.35
7	E	2362	2362	82.35
8	E	968	968	60.19
8	E	968	968	60.19
9	E	726	726	16.07
9	E	726	726	16.06
10	E	604	604	102.85
10	E	604	604	102.82
11	E	270	270	0.00
11	E	270	270	0.00
12	E	169	169	0.00
12	E	169	169	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.876
C2	0.000	0.000	-0.035
H3	0.000	-1.409	2.315
H4	1.220	0.704	2.315
H5	-1.220	0.704	2.315
Cl6	0.000	1.709	-0.647
Cl7	1.480	-0.854	-0.647
Cl8	-1.480	-0.854	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9115	1.4755	1.4755	1.4755	3.0474	3.0474	3.0474
C2	1.9115		2.7401	2.7401	2.7401	1.8148	1.8148	1.8148
H3	1.4755	2.7401		2.4400	2.4400	4.3002	3.3573	3.3573
H4	1.4755	2.7401	2.4400		2.4400	3.3573	3.3573	4.3002
H5	1.4755	2.7401	2.4400	2.4400		3.3573	4.3002	3.3573
Cl6	3.0474	1.8148	4.3002	3.3573	3.3573		2.9593	2.9593
Cl7	3.0474	1.8148	3.3573	3.3573	4.3002	2.9593		2.9593
Cl8	3.0474	1.8148	3.3573	4.3002	3.3573	2.9593	2.9593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.706	Si1	C2	Cl7	109.706
Si1	C2	Cl8	109.706	C2	Si1	H3	107.300
C2	Si1	H4	107.300	C2	Si1	H5	107.300
H3	Si1	H4	111.553	H3	Si1	H5	111.553
H4	Si1	H5	111.553	Cl6	C2	Cl7	109.236
Cl6	C2	Cl8	109.236	Cl7	C2	Cl8	109.236

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

using model chemistry: B2PLYP/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	0.568
2	C	-0.557
3	H	-0.044
4	H	-0.044
5	H	-0.044
6	Cl	0.040
7	Cl	0.040
8	Cl	0.040

<r²>	278.126
(<r²>)^1/2	16.677

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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