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	hartrees
Energy at 0K	-303.057638
Energy at 298.15K	-303.059206
HF Energy	-303.057638
Nuclear repulsion energy	114.127528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1554	1483	143.75
2	A'	1078	1029	4.73
3	A'	771	736	41.41
4	A'	587	560	84.99
5	A'	256	245	0.12
6	A"	334	319	0.47

Atom	x (Å)	y (Å)
F1	1.308	0.346
O2	0.000	0.993
N3	-1.054	-0.163
O4	-0.549	-1.239

	F1	O2	N3	O4
F1		1.4595	2.4158	2.4415
O2	1.4595		1.5645	2.2989
N3	2.4158	1.5645		1.1881
O4	2.4415	2.2989	1.1881

Number	Element	Mulliken
1	F	-0.093
2	O	-0.062
3	N	0.363
4	O	-0.207

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

using model chemistry: mPW1PW91/3-21G

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
	-0.776	-0.360	0.000	0.856
CHELPG
AIM
ESP

	x	y	z
x	2.896	0.499	0.000
y	0.499	2.975	0.000
z	0.000	0.000	0.660

<r²>	59.717
(<r²>)^1/2	7.728