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	hartrees
Energy at 0K	-300.400385
Energy at 298.15K	-300.402040
HF Energy	-300.400385
Nuclear repulsion energy	116.045425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1718	1516	35.93
2	A'	1341	1183	4.35
3	A'	907	800	53.09
4	A'	785	693	0.91
5	A'	298	263	0.33
6	A"	348	307	0.04

Atom	x (Å)	y (Å)
F1	1.246	0.348
O2	0.000	0.965
N3	-1.041	-0.122
O4	-0.490	-1.250

	F1	O2	N3	O4
F1		1.3903	2.3344	2.3593
O2	1.3903		1.5054	2.2692
N3	2.3344	1.5054		1.2557
O4	2.3593	2.2692	1.2557

Number	Element	Mulliken
1	F	0.004
2	O	-0.000
3	N	0.062
4	O	-0.066

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: PBE1PBE/STO-3G

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
	0.504	0.050	0.000	0.507
CHELPG
AIM
ESP

	x	y	z
x	1.895	0.420	0.000
y	0.420	2.057	0.000
z	0.000	0.000	0.404

<r²>	56.080
(<r²>)^1/2	7.489