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	hartrees
Energy at 0K	-552.644186
Energy at 298.15K	-552.644888
HF Energy	-552.644186
Nuclear repulsion energy	90.031900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1015	1007	46.97
2	A'	673	667	217.49
3	A'	428	425	13.86

Atom	x (Å)	y (Å)
N1	0.000	0.744
S2	-0.822	-0.605
F3	1.462	0.497

	N1	S2	F3
N1		1.5803	1.4827
S2	1.5803		2.5363
F3	1.4827	2.5363

Number	Element	Mulliken
1	N	-0.036
2	S	0.222
3	F	-0.185

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

using model chemistry: BLYP/6-31G*

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
	-1.005	-1.077	0.000	1.473
CHELPG
AIM
ESP

	x	y	z
x	4.594	1.530	0.000
y	1.530	3.679	0.000
z	0.000	0.000	1.914

<r²>	56.148
(<r²>)^1/2	7.493