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	hartrees
Energy at 0K	-552.676913
Energy at 298.15K	-552.677641
HF Energy	-552.676913
Nuclear repulsion energy	99.406041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1464	1464	21.71
2	A'	693	693	220.56
3	A'	393	393	19.36

Atom	x (Å)	y (Å)
S1	0.000	0.438
N2	1.392	0.075
F3	-1.082	-0.837

	S1	N2	F3
S1		1.4383	1.6727
N2	1.4383		2.6367
F3	1.6727	2.6367

Number	Element	Mulliken
1	S	0.766
2	N	-0.365
3	F	-0.401

All results from a given calculation for FSN (Thiazyl fluoride)

using model chemistry: M06-2X/6-311G**

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
	-0.803	2.088	0.000	2.237
CHELPG
AIM
ESP

	x	y	z
x	4.559	0.240	0.000
y	0.240	2.488	0.000
z	0.000	0.000	1.844

<r²>	48.424
(<r²>)^1/2	6.959