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	hartrees
Energy at 0K	-389.733054
Energy at 298.15K
HF Energy	-389.733054
Nuclear repulsion energy	47.407174

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'	1895	1895	367.77	230.34	0.43	0.61
2	A'	827	827	56.21	18.78	0.60	0.75
3	A'	784	784	112.32	8.78	0.67	0.80

Atom	x (Å)	y (Å)
Si1	0.064	-0.609
F2	0.064	1.032
H3	-1.482	-0.770

	Si1	F2	H3
Si1		1.6408	1.5545
F2	1.6408		2.3747
H3	1.5545	2.3747

Number	Element	Mulliken
1	Si	0.412
2	F	-0.322
3	H	-0.091

All results from a given calculation for HSiF (fluorosilylene)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	-0.989	0.000	1.004
CHELPG
AIM
ESP

	x	y	z
x	5.550	0.096	0.000
y	0.096	4.552	0.000
z	0.000	0.000	4.308

<r²>	29.632
(<r²>)^1/2	5.444