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	hartrees
Energy at 0K	-552.722980
Energy at 298.15K	-552.723623
HF Energy	-552.722980
Nuclear repulsion energy	89.674204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1036	1032	57.48
2	A'	582	579	216.07
3	A'	405	403	36.56

Atom	x (Å)	y (Å)
N1	0.000	0.740
S2	-0.839	-0.581
F3	1.492	0.458

	N1	S2	F3
N1		1.5653	1.5184
S2	1.5653		2.5523
F3	1.5184	2.5523

Number	Element	Mulliken
1	N	-0.073
2	S	0.273
3	F	-0.200

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

using model chemistry: BLYP/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
	-1.626	-1.329	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	4.814	1.607	0.000
y	1.607	3.612	0.000
z	0.000	0.000	1.756

<r²>	56.904
(<r²>)^1/2	7.543