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	hartrees
Energy at 0K	-229.709572
Energy at 298.15K
HF Energy	-229.709572
Nuclear repulsion energy	66.036696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1964	1880	252.56	8.62	0.19	0.32
2	A'	798	764	178.86	2.81	0.45	0.62
3	A'	536	513	143.82	10.05	0.35	0.52

Atom	x (Å)	y (Å)
F1	-0.948	-0.609
N2	0.000	0.558
O3	1.067	0.197

	F1	N2	O3
F1		1.5039	2.1706
N2	1.5039		1.1261
O3	2.1706	1.1261

Number	Element	Mulliken
1	F	-0.337
2	N	0.458
3	O	-0.121

All results from a given calculation for FNO (Nitrosyl fluoride)

using model chemistry: B3PW91/6-311+G(3df,2p)

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
	1.245	0.965	0.000	1.575
CHELPG
AIM
ESP

	x	y	z
x	3.239	0.608	0.000
y	0.608	2.321	0.000
z	0.000	0.000	1.631

<r²>	32.796
(<r²>)^1/2	5.727