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	hartrees
Energy at 0K	-304.651849
Energy at 298.15K	-304.653228
HF Energy	-304.380032
Nuclear repulsion energy	116.305375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1768	1768	220.44
2	A'	930	930	8.85
3	A'	784	784	55.88
4	A'	337	337	139.11
5	A'	242	242	14.45
6	A"	382	382	0.23

Atom	x (Å)	y (Å)
F1	1.318	0.371
O2	0.000	0.938
N3	-1.017	-0.145
O4	-0.593	-1.228

	F1	O2	N3	O4
F1		1.4346	2.3913	2.4909
O2	1.4346		1.4854	2.2450
N3	2.3913	1.4854		1.1633
O4	2.4909	2.2450	1.1633

Number	Element	Mulliken
1	F	-0.280
2	O	-0.022
3	N	0.547
4	O	-0.245

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

using model chemistry: B2PLYP/aug-cc-pVDZ

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
	-0.799	-0.406	0.000	0.896
CHELPG
AIM
ESP

	x	y	z
x	4.135	0.679	0.000
y	0.679	4.187	0.000
z	0.000	0.000	2.153

<r²>	59.379
(<r²>)^1/2	7.706