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	hartrees
Energy at 0K	-229.563648
Energy at 298.15K
HF Energy	-229.563648
Nuclear repulsion energy	64.166698

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'	1818	1721	198.40	9.45	0.29	0.46
2	A'	802	760	173.33	5.89	0.36	0.53
3	A'	546	517	40.39	7.93	0.49	0.66

Atom	x (Å)	y (Å)
F1	-0.978	-0.620
N2	0.000	0.572
O3	1.101	0.197

	F1	N2	O3
F1		1.5416	2.2335
N2	1.5416		1.1629
O3	2.2335	1.1629

Number	Element	Mulliken
1	F	-0.278
2	N	0.395
3	O	-0.117

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

using model chemistry: mPW1PW91/6-31G

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
	0.984	0.901	0.000	1.334
CHELPG
AIM
ESP

	x	y	z
x	2.724	0.614	0.000
y	0.614	1.486	0.000
z	0.000	0.000	0.745

<r²>	34.188
(<r²>)^1/2	5.847