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	hartrees
Energy at 0K	-1709.065668
Energy at 298.15K	-1709.068813
HF Energy	-1708.961756
Nuclear repulsion energy	421.072948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2217	2217	49.62
2	A₁	895	895	241.77
3	A₁	844	844	14.50
4	A₁	387	387	10.75
5	A₁	274	274	10.02
6	A₂	168	168	0.00
7	E	2251	2251	101.73
7	E	2251	2251	101.74
8	E	929	929	55.84
8	E	929	929	55.83
9	E	705	705	28.03
9	E	705	705	28.02
10	E	579	579	98.39
10	E	579	579	98.37
11	E	261	261	0.08
11	E	261	261	0.08
12	E	168	168	0.00
12	E	168	168	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.934
C2	0.000	0.000	-0.018
H3	0.000	-1.429	2.366
H4	1.237	0.714	2.366
H5	-1.237	0.714	2.366
Cl6	0.000	1.757	-0.668
Cl7	1.522	-0.879	-0.668
Cl8	-1.522	-0.879	-0.668

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9515	1.4927	1.4927	1.4927	3.1398	3.1398	3.1398
C2	1.9515		2.7793	2.7793	2.7793	1.8737	1.8737	1.8737
H3	1.4927	2.7793		2.4745	2.4745	4.3997	3.4390	3.4390
H4	1.4927	2.7793	2.4745		2.4745	3.4390	3.4390	4.3997
H5	1.4927	2.7793	2.4745	2.4745		3.4390	4.3997	3.4390
Cl6	3.1398	1.8737	4.3997	3.4390	3.4390		3.0435	3.0435
Cl7	3.1398	1.8737	3.4390	3.4390	4.3997	3.0435		3.0435
Cl8	3.1398	1.8737	3.4390	4.3997	3.4390	3.0435	3.0435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.315	Si1	C2	Cl7	110.315
Si1	C2	Cl8	110.315	C2	Si1	H3	106.842
C2	Si1	H4	106.842	C2	Si1	H5	106.842
H3	Si1	H4	111.967	H3	Si1	H5	111.967
H4	Si1	H5	111.967	Cl6	C2	Cl7	108.614
Cl6	C2	Cl8	108.614	Cl7	C2	Cl8	108.614

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

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