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	hartrees
Energy at 0K	-544.844557
Energy at 298.15K	-544.845456
HF Energy	-544.844557
Nuclear repulsion energy	93.025580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1451	1185	85.58
2	A'	1230	1004	7.59
3	A'	525	429	1.55

Atom	x (Å)	y (Å)
N1	0.000	0.736
S2	-0.765	-0.643
F3	1.361	0.571

	N1	S2	F3
N1		1.5771	1.3708
S2	1.5771		2.4483
F3	1.3708	2.4483

Number	Element	Mulliken
1	N	-0.149
2	S	0.223
3	F	-0.073

All results from a given calculation for FNS (Thionitrosyl fluoride)

using model chemistry: HF/STO-3G

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
	-0.220	-1.035	0.000	1.058
CHELPG
AIM
ESP

	x	y	z
x	2.039	1.352	0.000
y	1.352	1.958	0.000
z	0.000	0.000	0.695

<r²>	51.903
(<r²>)^1/2	7.204