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	hartrees
Energy at 0K	-304.857831
Energy at 298.15K	-304.859361
HF Energy	-304.857831
Nuclear repulsion energy	115.806542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1727	1680	218.75
2	A'	1054	1025	22.10
3	A'	788	766	9.48
4	A'	421	409	141.75
5	A'	183	178	27.34
6	A"	536	521	0.42

Atom	x (Å)	y (Å)
F1	1.475	0.264
O2	0.000	0.855
N3	-0.939	0.015
O4	-0.838	-1.164

	F1	O2	N3	O4
F1		1.5888	2.4261	2.7179
O2	1.5888		1.2595	2.1858
N3	2.4261	1.2595		1.1833
O4	2.7179	2.1858	1.1833

Number	Element	Mulliken
1	F	-0.190
2	O	0.030
3	N	0.282
4	O	-0.122

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

using model chemistry: TPSSh/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
	-1.354	0.297	0.000	1.386
CHELPG
AIM
ESP

	x	y	z
x	4.272	0.810	0.000
y	0.810	2.994	0.000
z	0.000	0.000	1.010

<r²>	61.525
(<r²>)^1/2	7.844