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	hartrees
Energy at 0K	-304.634590
Energy at 298.15K	-304.635835
HF Energy	-304.634590
Nuclear repulsion energy	114.150456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1696	1605	185.97
2	A'	897	849	13.98
3	A'	789	747	43.16
4	A'	309	292	60.82
5	A'	179	170	12.70
6	A"	391	370	0.42

Atom	x (Å)	y (Å)
F1	1.386	0.365
O2	0.000	0.923
N3	-1.019	-0.107
O4	-0.667	-1.239

	F1	O2	N3	O4
F1		1.4941	2.4507	2.6053
O2	1.4941		1.4490	2.2627
N3	2.4507	1.4490		1.1852
O4	2.6053	2.2627	1.1852

Number	Element	Mulliken
1	F	-0.133
2	O	-0.058
3	N	0.370
4	O	-0.180

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

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
	-0.804	-0.206	0.000	0.830
CHELPG
AIM
ESP

	x	y	z
x	3.528	0.664	0.000
y	0.664	3.208	0.000
z	0.000	0.000	0.869

<r²>	61.745
(<r²>)^1/2	7.858