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	hartrees
Energy at 0K	-550.944609
Energy at 298.15K	-550.945373
HF Energy	-550.944609
Nuclear repulsion energy	92.349628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1081	1068	54.08
2	A'	699	691	270.85
3	A'	461	456	14.24

Atom	x (Å)	y (Å)
N1	0.000	0.727
S2	-0.794	-0.605
F3	1.412	0.510

	N1	S2	F3
N1		1.5514	1.4290
S2	1.5514		2.4727
F3	1.4290	2.4727

Number	Element	Mulliken
1	N	-0.097
2	S	0.255
3	F	-0.157

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

using model chemistry: LSDA/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
	-1.104	-1.298	0.000	1.704
CHELPG
AIM
ESP

	x	y	z
x	4.327	1.557	0.000
y	1.557	3.658	0.000
z	0.000	0.000	1.768

<r²>	54.384
(<r²>)^1/2	7.375