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	hartrees
Energy at 0K	-44.157523
Energy at 298.15K	-44.158200
HF Energy	-44.157523
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1401	1401	22.69
2	A'	663	663	222.81
3	A'	370	370	15.91

Atom	x (Å)	y (Å)
S1	0.000	0.443
N2	1.414	0.078
F3	-1.099	-0.848

	S1	N2	F3
S1		1.4597	1.6956
N2	1.4597		2.6783
F3	1.6956	2.6783

Number	Element	Mulliken
1	S	0.472
2	N	-0.165
3	F	-0.307

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

using model chemistry: wB97X-D/CEP-31G*

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
	-0.788	1.934	0.000	2.088
CHELPG
AIM
ESP

	x	y	z
x	4.795	0.332	0.000
y	0.332	2.663	0.000
z	0.000	0.000	1.917

<r²>	39.004
(<r²>)^1/2	6.245