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	hartrees
Energy at 0K	-163.593952
Energy at 298.15K	-163.594808
HF Energy	-163.593952
Nuclear repulsion energy	48.965840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1125	1012	113.32
2	A'	926	833	197.26
3	A'	486	438	1.91

Atom	x (Å)	y (Å)
N1	0.000	0.739
S2	-0.788	-0.649
F3	1.401	0.579

	N1	S2	F3
N1		1.5956	1.4097
S2	1.5956		2.5093
F3	1.4097	2.5093

Number	Element	Mulliken
1	N	-0.105
2	S	0.367
3	F	-0.263

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

using model chemistry: HF/LANL2DZ

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
	-1.354	-1.435	0.000	1.974
CHELPG
AIM
ESP

	x	y	z
x	3.632	2.180	0.000
y	2.180	3.843	0.000
z	0.000	0.000	1.131

<r²>	45.341
(<r²>)^1/2	6.734