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	hartrees
Energy at 0K	-552.645572
Energy at 298.15K	-552.646251
HF Energy	-552.645572
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1421	1353	26.76
2	A'	652	621	245.33
3	A'	371	353	16.84

Atom	x (Å)	y (Å)
S1	0.000	0.441
N2	1.403	0.087
F3	-1.091	-0.852

	S1	N2	F3
S1		1.4467	1.6914
N2	1.4467		2.6643
F3	1.6914	2.6643

Number	Element	Mulliken
1	S	0.678
2	N	-0.343
3	F	-0.335

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

using model chemistry: wB97X-D/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
	-0.742	2.030	0.000	2.161
CHELPG
AIM
ESP

	x	y	z
x	5.335	0.332	0.000
y	0.332	3.141	0.000
z	0.000	0.000	2.393

<r²>	49.178
(<r²>)^1/2	7.013