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	hartrees
Energy at 0K	-749.965346
Energy at 298.15K
HF Energy	-749.965346
Nuclear repulsion energy	68.257991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1937	1937	265.73	208.25	0.38	0.55
2	A'	777	777	39.55	16.77	0.69	0.81
3	A'	507	507	86.03	17.77	0.38	0.55

Atom	x (Å)	y (Å)
Si1	0.048	1.109
Cl2	0.048	-0.986
H3	-1.491	1.233

	Si1	Cl2	H3
Si1		2.0946	1.5442
Cl2	2.0946		2.7005
H3	1.5442	2.7005

Number	Element	Mulliken
1	Si	0.261
2	Cl	-0.199
3	H	-0.063

All results from a given calculation for HSiCl (Chlorosilylene)

using model chemistry: PBEPBEultrafine/Def2TZVPP

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.174	0.876	0.000	0.893
CHELPG
AIM
ESP

	x	y	z
x	5.950	-0.231	0.000
y	-0.231	7.975	0.000
z	0.000	0.000	4.749

<r²>	54.021
(<r²>)^1/2	7.350