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	hartrees
Energy at 0K	-229.657814
Energy at 298.15K
HF Energy	-229.657814
Nuclear repulsion energy	66.924355

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'	1943	1860	184.18	8.11	0.20	0.33
2	A'	859	822	181.31	3.20	0.37	0.54
3	A'	597	572	97.97	7.35	0.36	0.53

Atom	x (Å)	y (Å)
F1	-0.947	-0.553
N2	0.000	0.544
O3	1.066	0.147

	F1	N2	O3
F1		1.4497	2.1317
N2	1.4497		1.1374
O3	2.1317	1.1374

Number	Element	Mulliken
1	F	-0.224
2	N	0.288
3	O	-0.064

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

using model chemistry: B1B95/6-31G(2df,p)

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
	0.708	0.535	0.000	0.887
CHELPG
AIM
ESP

	x	y	z
x	2.735	0.414	0.000
y	0.414	1.759	0.000
z	0.000	0.000	1.298

<r²>	31.569
(<r²>)^1/2	5.619