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	hartrees
Energy at 0K	-43.344897
Energy at 298.15K	-43.345824
HF Energy	-43.344897
Nuclear repulsion energy	33.164548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1255	1134	119.66
2	A'	1024	925	262.44
3	A'	535	483	1.21

Atom	x (Å)	y (Å)
N1	0.000	0.713
S2	-0.760	-0.621
F3	1.351	0.549

	N1	S2	F3
N1		1.5354	1.3605
S2	1.5354		2.4128
F3	1.3605	2.4128

Number	Element	Mulliken
1	N	0.129
2	S	0.108
3	F	-0.237

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

using model chemistry: HF/CEP-121G*

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
	-1.047	-1.195	0.000	1.588
CHELPG
AIM
ESP

	x	y	z
x	4.218	1.497	0.000
y	1.497	4.113	0.000
z	0.000	0.000	2.096

<r²>	37.170
(<r²>)^1/2	6.097