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	hartrees
Energy at 0K	-2778.658416
Energy at 298.15K	-2778.662322
HF Energy	-2778.658416
Nuclear repulsion energy	223.592932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1777	1761	346.38
2	A'	834	826	134.72
3	A'	541	536	86.18
4	A'	351	348	46.93
5	A'	200	198	0.07
6	A"	173	171	0.14

Atom	x (Å)	y (Å)
Br1	-0.752	-0.815
O2	0.000	0.897
N3	1.547	0.839
O4	1.938	1.933

	Br1	O2	N3	O4
Br1		1.8697	2.8321	3.8459
O2	1.8697		1.5482	2.1979
N3	2.8321	1.5482		1.1626
O4	3.8459	2.1979	1.1626

Number	Element	Mulliken
1	Br	0.179
2	O	-0.321
3	N	0.202
4	O	-0.060

All results from a given calculation for BrONO (Bromine nitrite)

using model chemistry: PBEPBE/6-311G**

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
	0.256	-0.750	0.000	0.792
CHELPG
AIM
ESP

	x	y	z
x	6.512	3.211	0.000
y	3.211	6.199	0.000
z	0.000	0.000	2.364

<r²>	151.904
(<r²>)^1/2	12.325