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	hartrees
Energy at 0K	-2861.319872
Energy at 298.15K
HF Energy	-2861.319872
Nuclear repulsion energy	126.816248

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'	2048	1956	304.08	216.62	0.48	0.65
2	A'	781	745	56.63	14.06	0.71	0.83
3	A'	421	402	73.41	21.84	0.29	0.45

Atom	x (Å)	y (Å)
Si1	0.031	1.571
Br2	0.031	-0.676
H3	-1.496	1.680

	Si1	Br2	H3
Si1		2.2474	1.5300
Br2	2.2474		2.8078
H3	1.5300	2.8078

Number	Element	Mulliken
1	Si	0.449
2	Br	-0.326
3	H	-0.123

All results from a given calculation for HSiBr (monobromosilylene)

using model chemistry: HSEh1PBE/6-31+G**

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
	-0.360	1.134	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	6.135	-0.253	0.000
y	-0.253	9.736	0.000
z	0.000	0.000	4.840

<r²>	75.734
(<r²>)^1/2	8.703