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	hartrees
Energy at 0K	-43.244355
Energy at 298.15K	-43.245213
HF Energy	-43.244355
Nuclear repulsion energy	31.874954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1116	1006	123.15
2	A'	945	852	191.50
3	A'	483	435	2.18

Atom	x (Å)	y (Å)
N1	0.000	0.745
S2	-0.787	-0.655
F3	1.400	0.585

	N1	S2	F3
N1		1.6059	1.4086
S2	1.6059		2.5140
F3	1.4086	2.5140

Number	Element	Mulliken
1	N	-0.036
2	S	0.265
3	F	-0.230

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

using model chemistry: HF/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
	-1.299	-1.425	0.000	1.928
CHELPG
AIM
ESP

	x	y	z
x	3.904	2.124	0.000
y	2.124	3.923	0.000
z	0.000	0.000	1.336

<r²>	39.801
(<r²>)^1/2	6.309