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	hartrees
Energy at 0K	-550.986719
Energy at 298.15K	-550.987363
HF Energy	-550.986719
Nuclear repulsion energy	97.914971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1393	1379	18.89
2	A'	630	624	157.54
3	A'	350	347	14.66

Atom	x (Å)	y (Å)
S1	0.000	0.436
N2	1.416	0.110
F3	-1.101	-0.861

	S1	N2	F3
S1		1.4533	1.7018
N2	1.4533		2.6982
F3	1.7018	2.6982

Number	Element	Mulliken
1	S	0.664
2	N	-0.331
3	F	-0.333

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

using model chemistry: SVWN/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
	-0.871	1.814	0.000	2.012
CHELPG
AIM
ESP

	x	y	z
x	4.771	0.415	0.000
y	0.415	2.633	0.000
z	0.000	0.000	1.870

<r²>	49.635
(<r²>)^1/2	7.045