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	hartrees
Energy at 0K	-1709.226426
Energy at 298.15K	-1709.229548
HF Energy	-1709.226426
Nuclear repulsion energy	432.086204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2163	2151	42.24
2	A₁	879	873	106.28
3	A₁	832	827	102.11
4	A₁	411	408	9.25
5	A₁	272	271	9.62
6	A₂	184	183	0.00
7	E	2191	2178	68.09
7	E	2191	2178	68.11
8	E	895	889	45.32
8	E	895	889	45.32
9	E	701	696	63.21
9	E	701	696	63.21
10	E	573	570	74.29
10	E	573	570	74.30
11	E	260	258	0.18
11	E	260	258	0.18
12	E	151	151	0.03
12	E	151	151	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.891
C2	0.000	0.000	-0.050
H3	0.000	-1.434	2.341
H4	1.242	0.717	2.341
H5	-1.242	0.717	2.341
Cl6	0.000	1.706	-0.651
Cl7	1.478	-0.853	-0.651
Cl8	-1.478	-0.853	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9403	1.5036	1.5036	1.5036	3.0610	3.0610	3.0610
C2	1.9403		2.7884	2.7884	2.7884	1.8090	1.8090	1.8090
H3	1.5036	2.7884		2.4846	2.4846	4.3379	3.3873	3.3873
H4	1.5036	2.7884	2.4846		2.4846	3.3873	3.3873	4.3379
H5	1.5036	2.7884	2.4846	2.4846		3.3873	4.3379	3.3873
Cl6	3.0610	1.8090	4.3379	3.3873	3.3873		2.9554	2.9554
Cl7	3.0610	1.8090	3.3873	3.3873	4.3379	2.9554		2.9554
Cl8	3.0610	1.8090	3.3873	4.3379	3.3873	2.9554	2.9554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.404	Si1	C2	Cl7	109.404
Si1	C2	Cl8	109.404	C2	Si1	H3	107.443
C2	Si1	H4	107.443	C2	Si1	H5	107.443
H3	Si1	H4	111.421	H3	Si1	H5	111.421
H4	Si1	H5	111.421	Cl6	C2	Cl7	109.538
Cl6	C2	Cl8	109.538	Cl7	C2	Cl8	109.538

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

using model chemistry: PBEPBEultrafine/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	0.308
2	C	-0.383
3	H	-0.002
4	H	-0.002
5	H	-0.002
6	Cl	0.027
7	Cl	0.027
8	Cl	0.027

<r²>	278.515
(<r²>)^1/2	16.689

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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